762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:2:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-2:S-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6])(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6,6a]H)(C[6]C[6])(SO3){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,3|C<3>}	S(C[6]C[6]2)(O)3	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:2:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SC[6]OO)	C[6](C[6]C[6]Br)(C[6]C[6]S)(H)	S(C[6]C[6]2)2(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SC[6]OO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]S)(H){1|C<3>,1|O<2>}	S(C[6]C[6]2)2(O)2	120.2470	0.000	1	120.2470	0.000	1	120.2470	0.000	1	119.7473	0.133	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:2:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(NCC)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SNOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>}	S(C[6]C[6]2)(NCC)(O)2	119.9640	0.000	1	119.9640	0.000	1	119.5595	0.327	2	119.7473	0.133	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:2:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(NC[6a]C)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SNOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>}	S(C[6]C[6]2)(NC[6a]C)(O)2	119.1550	0.000	1	119.1550	0.000	1	119.5595	0.327	2	119.7473	0.133	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:2:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SN[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(N[5]C[5]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SN[5]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>}	S(C[6]C[6]2)(N[5]C[5]2)(O)2	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	119.7473	0.133	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:2:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(N[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,1|C<4>}	S(C[6]C[6]2)(N[6]C[6]2)(O)2	119.7860	0.000	1	119.7145	0.010	2	119.7145	0.010	2	119.7473	0.133	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:2:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(N[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>}	S(C[6]C[6]2)(N[6]C[6]2)(O)2	119.6430	0.000	1	119.7145	0.010	2	119.7145	0.010	2	119.7473	0.133	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:2:4:	3:3:1:	4:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SC[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[5]C[5]2H)(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SC[5]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>}	S(C[5]C[5]2H)(C[6]C[6]2)(O)2	119.5800	0.000	1	119.5800	0.000	1	119.5800	0.000	1	119.5800	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:2:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(SN[6]OO)	C[6](C[6]C[6]S)(C[6]C[6])(H)	S(C[6]C[6]2)(N[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(SN[6]OO){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<2>,2|H<1>}	S(C[6]C[6]2)(N[6]C[6]2)(O)2	119.6500	0.690	2	119.6500	0.476	2	119.6500	0.476	2	119.6500	0.476	2	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:2:1:	4:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-2:H-1:	C[5]-4:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(SC[5]OO)	C[6](C[6]C[6]S)(C[6]C[6])(H)	S(C[5]C[5]2H)(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(SC[5]OO){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,2|H<1>}	S(C[5]C[5]2H)(C[6]C[6]2)(O)2	119.2010	0.000	1	119.2010	0.000	1	119.2010	0.000	1	119.2010	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SO3)	C[6](C[6]C[6,6a]S)(C[6]C[6]I)(H)	S(C[6]C[6,6a]C[6])(O)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SO3){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]S)(C[6]C[6]I)(H){1|O<1>,2|C<3>}	S(C[6]C[6,6a]C[6])(O)3	118.8110	0.000	1	118.8110	0.000	1	118.8110	0.000	1	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(SO3)	C[6](C[6]C[6]O)(C[6]C[6]S)(Cl)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]Cl)(C[6]C[6]O)(SO3){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	S(C[6]C[6]2)(O)3	125.8115	0.713	2	125.8115	0.509	2	125.1467	1.581	3	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(Cl)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]Cl)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(Cl){1|N<3>,2|H<1>}	S(C[6]C[6]2)(O)3	123.8170	0.000	1	123.8170	0.000	1	125.1467	1.581	3	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(SO3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]H)(C[6]C[6]N)(SO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<4>}	S(C[6]C[6]2)(O)3	118.4860	0.000	1	118.4860	0.000	1	120.9258	1.089	14	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SO3)	C[6](C[6]C[6]N)(C[6]C[6]S)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]H)(C[6]C[6]O)(SO3){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	S(C[6]C[6]2)(O)3	120.4090	0.000	1	120.4090	0.000	1	120.9258	1.089	14	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	S(C[6]C[6]2)(O)3	121.1530	0.000	1	121.6225	0.136	8	120.9258	1.089	14	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	S(C[6]C[6]2)(O)3	121.9597	0.163	3	121.6225	0.136	8	120.9258	1.089	14	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	S(C[6]C[6]2)(O)3	121.4870	0.296	4	121.6225	0.136	8	120.9258	1.089	14	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]H)2(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]H)2(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	S(C[6]C[6]2)(O)3	120.0695	0.996	2	120.0695	0.993	2	120.9258	1.089	14	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]H)2(SO3)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]H)2(SO3){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	S(C[6]C[6]2)(O)3	120.4735	0.490	2	120.4735	0.240	2	120.9258	1.089	14	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(SO3)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]Cl)(C[6]C[6]O)(SO3){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){2|Cl<1>,1|C<3>}	S(C[6]C[6]2)(O)3	115.5775	0.337	2	115.5775	0.114	2	116.3503	1.849	3	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SO3)	C[6](C[6]C[6]N)(C[6]C[6]S)(O)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]H)(C[6]C[6]O)(SO3){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	S(C[6]C[6]2)(O)3	117.8960	0.000	1	117.8960	0.000	1	116.3503	1.849	3	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]C)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	S(C[6]C[6]2)(O)3	116.6590	0.413	2	116.6590	0.171	2	118.4774	1.728	7	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]Cl)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	S(C[6]C[6]2)(O)3	118.7260	0.000	1	118.7260	0.000	1	118.4774	1.728	7	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	S(C[6]C[6]2)(O)3	119.6220	0.000	1	119.6220	0.000	1	118.4774	1.728	7	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]N)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6]C[6]2)(O)3	118.9265	0.032	2	118.9265	0.001	2	118.4774	1.728	7	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]O)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	S(C[6]C[6]2)(O)3	119.8230	0.000	1	119.8230	0.000	1	118.4774	1.728	7	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](N[6]C[6]Co)(C[6]C[6]S)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	S(C[6]C[6]2)(O)3	118.3163	0.236	3	118.3163	0.056	3	118.6377	0.150	7	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](N[6]C[6]Ni)(C[6]C[6]S)(H)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	S(C[6]C[6]2)(O)3	118.8787	0.285	4	118.8787	0.081	4	118.6377	0.150	7	119.8877	5.703	35	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:O-1:	C[6](C[6]C[6]H)2(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(NI)(O)2	C[6](C[6]C[6]H)2(SNOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	S(C[6]C[6]2)(NI)(O)2	120.0515	0.588	2	120.0515	0.345	2	120.0515	0.345	2	119.7113	0.935	8	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(OC)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<1>,1|N<3>}	S(C[6]C[6]2)(OC)(O)2	119.6380	0.000	2	119.6380	0.000	2	119.6380	0.000	2	119.7113	0.935	8	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-2:O-1:O-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	S(C[6]C[6]2)(NC)(O)2	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6]C[6]2)(NC)(O)2	118.4205	0.726	2	118.4205	0.527	2	118.4205	0.527	2	119.7113	0.935	8	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:2:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	S(C[6]C[6]2)(OC)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	S(C[6]C[6]2)(OC)(O)2	120.7350	0.000	2	120.7350	0.000	2	120.7350	0.000	2	119.7113	0.935	8	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6,6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	119.4640	0.000	1	119.4640	0.000	1	119.4640	0.000	1	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(SC[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[5]C[5]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(SC[5]OO){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>}	S(C[5]C[5]2)(C[6]C[6]2)(O)2	119.4005	1.095	2	119.4005	1.200	2	119.4005	1.200	2	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(SC[6]OO)	C[6](C[6]C[6]Br)(C[6]C[6]S)(H)	S(C[6]C[6]2)2(O)2	C[6](C[6]C[6]H)2(SC[6]OO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	S(C[6]C[6]2)2(O)2	120.0136	0.923	8	120.0136	0.851	8	119.8352	0.580	16	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(SC[6]OO)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)	S(C[6]C[6]2)2(O)2	C[6](C[6]C[6]H)2(SC[6]OO){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	S(C[6]C[6]2)2(O)2	119.6568	0.564	8	119.6568	0.318	8	119.8352	0.580	16	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	S(C[6]C[6]2)(NCC)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	S(C[6]C[6]2)(NCC)(O)2	117.9110	0.000	1	117.9110	0.000	1	118.9260	0.809	3	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:O-1:	C[6](C[6]C[6]H)2(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(NCN)(O)2	C[6](C[6]C[6]H)2(SNOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	S(C[6]C[6]2)(NCN)(O)2	119.4335	0.271	2	119.4335	0.073	2	118.9260	0.809	3	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O-1:O-1:	C[6](C[6]C[6]H)2(SN[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(N[5]C[5]2)(O)2	C[6](C[6]C[6]H)2(SN[5]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	S(C[6]C[6]2)(N[5]C[5]2)(O)2	119.7138	0.867	4	119.7138	0.752	4	119.7138	0.752	4	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(SN[6]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(N[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(SN[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	S(C[6]C[6]2)(N[6]C[6]2)(O)2	119.5200	0.280	2	119.5200	0.078	2	119.5200	0.078	2	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	115.9230	0.813	2	115.9230	0.661	2	119.7422	2.115	24	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	120.1484	0.840	20	120.0894	0.770	22	119.7422	2.115	24	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	119.4990	1.407	2	120.0894	0.770	22	119.7422	2.115	24	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO)	C[6](C[6]C[6]S)2(O)	S(C[6]C[6]2)(NCC)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]S)2(O){1|C<3>,2|H<1>}	S(C[6]C[6]2)(NCC)(O)2	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]S)2(O)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]S)2(O){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	121.4900	1.321	2	121.4900	1.745	2	121.4900	1.745	2	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:O-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO)	C[6](C[6]C[6]S)(N[6]C[6]C)(H)	S(C[6]C[6]2)(NCC)(O)2	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	S(C[6]C[6]2)(NCC)(O)2	115.0705	0.118	2	115.0705	0.014	2	115.0705	0.014	2	119.5881	2.061	57	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:4:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:O-1:	C[6](C[6]C[6]H)2(SCOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]2)(CC[6a]CN)(O)2	C[6](C[6]C[6]H)2(SCOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	S(C[6]C[6]2)(CC[6a]CN)(O)2	120.0515	0.293	2	120.0515	0.086	2	120.0515	0.086	2	118.4140	8.530	5	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:4:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-4:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	S(C[6]C[6]2)(NCuCC)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	S(C[6]C[6]2)(NCuCC)(O)2	116.5200	0.000	1	116.5200	0.000	1	116.5200	0.000	1	118.4140	8.530	5	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:4:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:O-1:O-1:	C[6](C[6]C[6]O)(C[6]C[6]P)(SCOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(O)	S(C[6]C[6]2)(CF3)(O)2	C[6](C[6]C[6]O)(C[6]C[6]P)(SCOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,1|H<1>,1|P<4>}	S(C[6]C[6]2)(CF3)(O)2	114.2500	0.000	1	114.2500	0.000	1	114.2500	0.000	1	118.4140	8.530	5	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	3:4:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-4:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO)	C[6](C[6]C[6]S)2(O)	S(C[6]C[6]2)(NCuCC)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]S)2(O){1|C<3>,2|H<1>}	S(C[6]C[6]2)(NCuCC)(O)2	121.1970	0.000	1	121.1970	0.000	1	121.1970	0.000	1	118.4140	8.530	5	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:1:	4:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(SC[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[5]C[5]2H)(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(SC[5]OO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,2|H<1>}	S(C[5]C[5]2H)(C[6]C[6]2)(O)2	120.6670	0.000	1	120.6670	0.000	1	120.6670	0.000	1	120.6670	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:2:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(OH)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]O)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|N<3>,2|H<1>}	S(C[6]C[6]2)(O)3	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:3:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:N-3:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]N)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH){1|N<3>,2|H<1>}	S(C[6]C[6]2)(O)3	122.0450	0.379	2	122.0450	0.144	2	122.0155	0.479	4	123.6090	6.382	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:3:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:N-3:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]N)2(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]N)2(SO3){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO){1|C<3>,1|H<1>,2|N<3>}	S(C[6]C[6]2)(O)3	121.9860	1.136	2	121.9860	1.290	2	122.0155	0.479	4	123.6090	6.382	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:3:	3:1:1:1:	C[6]-3:N[6]-3:S-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	S(C[6]C[6]N[6])(O)3	C[6](C[6]C[6]C)(N[6]C[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])(O)3	126.7960	0.000	2	126.7960	0.000	2	126.7960	0.000	2	123.6090	6.382	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:3:	3:2:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:N-3:	C[6]-3:N-2:O-1:O-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	S(C[6]C[6]2)(NC)(O)2	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	S(C[6]C[6]2)(NC)(O)2	121.2910	0.137	2	121.2910	0.019	2	121.2910	0.019	2	121.2910	0.019	2	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]S)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	123.5080	0.000	1	123.5080	0.000	1	123.5080	0.000	1	123.9240	0.137	3	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:N-3:	C[6]-3:N-3:O-1:O-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	S(C[6]C[6]2)(NCC)(O)2	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	S(C[6]C[6]2)(NCC)(O)2	124.1320	0.119	2	124.1320	0.014	2	124.1320	0.014	2	123.9240	0.137	3	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:3:	3:4:1:1:	C[6]-3:N[6]-3:S-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:O-1:O-1:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]O)(SCOO)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	S(C[6]C[6]N[6])(CCHH)(O)2	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]O)(SCOO){1|O<1>,4|C<3>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){1|O<1>,2|H<1>,4|C<3>}	S(C[6]C[6]N[6])(CCHH)(O)2	123.6410	0.000	1	123.6410	0.000	1	123.6410	0.000	1	123.6410	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:4:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]C)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<3>,2|H<1>}	S(C[6]C[6]2)(O)3	123.8295	0.746	2	123.8295	0.557	2	123.8295	0.557	2	123.6067	0.427	3	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:4:	3:1:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:N-4:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(NH3)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6]H)(C[6]C[6]N)(SO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NH3){1|C<3>,2|H<1>}	S(C[6]C[6]2)(O)3	123.1610	0.000	1	123.1610	0.000	1	123.1610	0.000	1	123.6067	0.427	3	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	3:3:4:	3:4:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:P-4:	C[6]-3:C-4:O-1:O-1:	C[6](C[6]C[6]O)(C[6]C[6]P)(SCOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(PC[6a]3)	S(C[6]C[6]2)(CF3)(O)2	C[6](C[6]C[6]O)(C[6]C[6]P)(SCOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(PC[6a]3){1|C<3>,1|H<1>,1|O<1>}	S(C[6]C[6]2)(CF3)(O)2	123.2020	0.000	1	123.2020	0.000	1	123.2020	0.000	1	123.2020	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H)	S(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]S)(H){6|C<3>}	S(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.5400	0.000	1	116.5400	0.000	1	116.5400	0.000	1	117.4676	6.190	5	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[5,6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	117.4676	6.190	5	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(C[6]C[6]S)(O)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[5,6]H)(C[6]C[6]O)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]S)(O){1|C<3>,1|H<1>,2|C<4>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	116.0590	0.000	1	116.0590	0.000	1	116.4627	2.665	3	117.4676	6.190	5	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6]OO)(C[6]C[6]S)(O)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6,6]OO)(C[6]C[6]S)(O){1|C<3>,1|O<2>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	118.2590	0.000	1	118.2590	0.000	1	116.4627	2.665	3	117.4676	6.190	5	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:3:4:	4:3:1:	3:3:1:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]S)(O)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){6|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]S)(O){7|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	115.0700	0.000	1	115.0700	0.000	1	116.4627	2.665	3	117.4676	6.190	5	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:4:2:	3:3:1:	3:3:1:1:	C[6]-3:S-4:N[6]-2:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]N[6]H)(SC[6a]OO)(N[6]C[6])	C[6](C[6]N[6]S)(N[6]C[6]O)(H)	S(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(O)2	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]S)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(O)2	118.6570	0.000	1	118.6570	0.000	1	118.6570	0.000	1	118.6570	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6,6a]-3:C[6]-3:N-3:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH){1|C<4>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	125.2190	0.000	1	125.2190	0.000	1	125.2190	0.000	1	125.4120	0.028	3	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]S)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]S){1|N<3>,3|C<3>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	125.5085	0.012	2	125.5085	0.000	2	125.5085	0.000	2	125.4120	0.028	3	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:4:4:	3:3:3:	3:4:1:1:	C[6]-3:C[6]-4:S-4:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C-4:O-1:O-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)	S(C[6]C[6]2)(CH3)(O)2	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SCOO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH){1|C<4>,2|C<3>,3|H<1>}	S(C[6]C[6]2)(CH3)(O)2	121.6000	0.000	1	121.6000	0.000	1	121.6000	0.000	1	121.6000	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:4:4:	3:4:3:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	122.1430	0.000	1	122.1430	0.000	1	122.4433	0.174	3	122.4433	0.174	3	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:4:4:	3:4:3:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|N<3>,2|C<3>,6|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	122.2680	0.000	1	122.2680	0.000	1	122.4433	0.174	3	122.4433	0.174	3	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:4:4:	3:4:3:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|O<2>,2|C<3>,6|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	122.9190	0.000	1	122.9190	0.000	1	122.4433	0.174	3	122.4433	0.174	3	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	3:4:4:	4:3:3:	3:3:1:1:	C[6]-3:C[6]-4:S-4:	C[3]-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,5|C<4>}	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S){3|C<4>,6|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	123.6860	0.000	1	123.6860	0.000	1	123.6860	0.000	1	123.6860	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	2:3:3:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	O[6]-2:C[6]-3:N-3:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]N)(SC[6a]OO)	C[6](O[6]C[6,6a])(C[6]C[6]S)(NHH)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]N)(SC[6a]OO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]S)(NHH){1|H<1>,1|N<3>,2|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	121.0590	0.000	1	121.0590	0.000	1	121.0590	0.000	1	121.0590	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	3:2:4:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:O[6]-2:C-4:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]C)(SC[6a]OO)	C[6](C[6]C[6]S)(O[6]C[6])(CH3)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]HH)(C[6]O[6]C)(SC[6a]OO){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]S)(O[6]C[6])(CH3){1|C<3>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,2|O<2>,3|C<3>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	117.6255	0.167	4	117.6255	0.028	4	117.6255	0.028	4	118.4540	1.672	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	3:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6,6]H)(C[6]C[6]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	120.1110	0.199	2	120.1110	0.040	2	120.1110	0.040	2	118.4540	1.672	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	3:3:2:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6])	S(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	S(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	119.7620	0.000	1	119.6610	0.020	2	119.6610	0.020	2	120.9510	1.193	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	3:3:2:	3:3:1:1:	C[5,6]-4:C[6]-3:S-4:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6])	S(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,3|C<3>,4|H<1>}	S(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)2	119.5600	0.000	1	119.6610	0.020	2	119.6610	0.020	2	120.9510	1.193	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	3:3:2:	3:3:1:1:	C[6,6]-4:C[6]-3:S-4:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6])	S(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6]){2|C<4>,3|C<3>,4|H<1>}	S(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	121.5960	0.564	4	121.5960	0.318	4	121.5960	0.318	4	120.9510	1.193	6	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	3:3:3:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	121.7980	0.000	1	121.7980	0.000	1	121.7980	0.000	1	121.7980	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	3:3:4:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]C)(SC[6a]OO)	C[6](C[6]C[6]S)(N[6]C[6]C)(CHHO)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]S)(N[6]C[6]C)(CHHO){2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	124.8870	0.000	1	124.8870	0.000	1	124.8870	0.000	1	124.8870	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[6,6]-4:C[6]-3:S-4:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[3,6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H)	S(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[3,6]H)(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H){1|C<4>,3|H<1>,4|C<3>}	S(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)2	119.9680	0.000	1	119.9680	0.000	1	119.9680	0.000	1	118.9980	1.415	4	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[3,6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]C[3]S)(C[6]C[6]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(SC[6a]OO){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]S)(C[6]C[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	118.9980	1.415	4	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	118.7560	0.000	1	119.3055	0.604	2	119.3055	0.604	2	118.9980	1.415	4	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	4:3:1:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	119.8550	0.000	1	119.3055	0.604	2	119.3055	0.604	2	118.9980	1.415	4	120.2080	5.113	169	120.2080	5.113	169
762	762	952	0:SP2_SP2_SP3	C[6]	C[6]	S	4:3:4:	4:3:2:	3:3:1:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]CC)(C[6]C[6]S)(OH)	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(SC[6a]OO){3|C<4>,4|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]S)(OH){1|C<4>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2)(O)2	121.0320	0.000	1	121.0320	0.000	1	121.0320	0.000	1	121.0320	0.000	1	120.2080	5.113	169	120.2080	5.113	169
762	762	953	0:SP2_SP-NON_SP2	C[6]	C[6,6]	I	3:2:2:	3:3:3:	3:3:	C[6,6]-3:C[6]-2:I-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(IC[6a])	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I)	I(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(IC[6a]){1|C<3>,2|C<2>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I){1|H<1>,2|C<3>}	I(C[6]C[6,6]C[6])(C[6a]C[6a]2)	120.5010	0.000	1	120.5010	0.000	1	120.5010	0.000	1	120.5010	0.000	1	120.5010	0.000	1	117.8166	2.894	11
762	762	953	0:SP2_SP-NON_SP2	C[6]	C[6]	I	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:I-2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(IC[6a])	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	I(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6]H)2(IC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	I(C[6a]C[6a]2)(C[6]C[6]2)	119.2810	0.979	2	119.2810	0.958	2	119.2810	0.958	2	119.2810	0.958	2	117.5482	2.335	10	117.8166	2.894	11
762	762	953	0:SP2_SP-NON_SP2	C[6]	C[6]	I	3:3:2:	4:3:1:	3:3:	C[6]-3:C[6]-3:I-2:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:	C[6](C[6]C[6]O)2(IC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	I(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6]O)2(IC[6a]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|O<1>,3|C<4>}	I(C[6a]C[6a]2)(C[6]C[6]2)	116.3545	1.210	2	116.2346	0.439	5	116.2346	0.439	5	116.2346	0.439	5	117.5482	2.335	10	117.8166	2.894	11
762	762	953	0:SP2_SP-NON_SP2	C[6]	C[6]	I	3:3:2:	4:3:1:	3:3:	C[6]-3:C[6]-3:I-2:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:	C[6](C[6]C[6]O)2(IC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	I(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6]O)2(IC[6a]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|O<2>,3|C<4>}	I(C[6a]C[6a]2)(C[6]C[6]2)	116.1547	0.350	3	116.2346	0.439	5	116.2346	0.439	5	116.2346	0.439	5	117.5482	2.335	10	117.8166	2.894	11
762	762	953	0:SP2_SP-NON_SP2	C[6]	C[6]	I	3:3:2:	4:3:2:	3:3:	C[6]-3:C[6]-3:I-2:	C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-3:	C[6](C[6]C[6]O)2(IC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]I)(OB)	I(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6]O)2(IC[6a]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(OB){1|O<1>,3|C<4>}	I(C[6a]C[6a]2)(C[6]C[6]2)	118.5823	0.480	3	118.5823	0.230	3	118.5823	0.230	3	118.5823	0.230	3	117.5482	2.335	10	117.8166	2.894	11
762	762	955	0:SP2_SP2_SP3	C[6]	C[6,6]	P[5]	4:3:3:	4:3:4:	3:3:3:3:	P[5]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[5,6a]-3:C[6]-3:C[6a]-3:C[5]-3:	C[6](P[5]C[5,6a]C[6a]C[5])(C[6,6]C[6,6]C[6])(C[6]C[6]B)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH)	P[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C)	C[6](P[5]C[5,6a]C[6a]C[5])(C[6,6]C[6,6]C[6])(C[6]C[6]B){4|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH){1|B<4>,1|C<4>,5|C<3>,5|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C){1|B<4>,6|C<3>,6|C<4>}	125.0080	0.000	1	125.0080	0.000	1	125.0080	0.000	1	125.0080	0.000	1	125.0080	0.000	1	118.3395	88.938	2
762	762	955	0:SP2_SP2_SP3	C[6]	C[6]	P[5]	4:3:3:	3:3:4:	3:3:3:3:	P[5]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:B-4:	C[5,6a]-3:C[6]-3:C[6a]-3:C[5]-3:	C[6](P[5]C[5,6a]C[6a]C[5])(C[6,6]C[6,6]C[6])(C[6]C[6]B)	C[6](C[6]C[6,6]P[5])(C[6]C[6]H)(BC[6a]2O)	P[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C)	C[6](P[5]C[5,6a]C[6a]C[5])(C[6,6]C[6,6]C[6])(C[6]C[6]B){4|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6]P[5])(C[6]C[6]H)(BC[6a]2O){1|H<1>,2|C<4>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C){1|B<4>,6|C<3>,6|C<4>}	111.6710	0.000	1	111.6710	0.000	1	111.6710	0.000	1	111.6710	0.000	1	111.6710	0.000	1	118.3395	88.938	2
762	762	956	0:SP2_SP2_SP2	C[6,6]	C[6,6]	N	3:4:3:	4:3:2:	3:1:1:	C[6,6]-3:C[3x6]-4:N-3:	C[5,3x6]-4:C[6,6]-3:C-2:	C[6,6]-3:H-1:H-1:	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[6,6]C[3x6]N)(CN)	N(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[6,6]C[3x6]N)(CN){1|C<3>,3|C<4>,5|H<1>}	N(C[6,6]C[3x6]C[6,6])(H)2	128.9260	0.000	1	128.9260	0.000	1	128.9260	0.000	1	128.9260	0.000	1	128.3540	1.917	3	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6,6]	C[6,6]	N	4:3:3:	4:3:1:	3:4:4:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-4:C-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(NCC)	C[6,6](C[3x6]C[5,6,6]N[3x6]H)(C[6,6]C[3x6]N)(H)	N(C[6,6]C[3x6]C[6,6])(CH3)2	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(NCC){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]N[3x6]H)(C[6,6]C[3x6]N)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6,6]C[3x6]C[6,6])(CH3)2	126.7750	0.000	1	126.7750	0.000	1	126.7750	0.000	1	126.7750	0.000	1	128.3540	1.917	3	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6,6]	C[6,6]	N	4:3:3:	4:3:2:	3:1:1:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-3:C-2:	C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN)	N(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH){1|N<2>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N(C[6,6]C[3x6]C[6,6])(H)2	129.3610	0.000	1	129.3610	0.000	1	129.3610	0.000	1	129.3610	0.000	1	128.3540	1.917	3	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6,6]	N	3:2:3:	3:3:3:	3:1:1:	C[6,6]-3:N[6]-2:N-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(NHH)	C[6,6](C[6,6]N[6]2)(C[6]N[6]N)(C[6]N[6]O)	N(C[6]C[6,6]N[6])(H)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>}	C[6,6](C[6,6]N[6]2)(C[6]N[6]N)(C[6]N[6]O){1|C<4>,2|C<3>}	N(C[6]C[6,6]N[6])(H)2	124.8860	0.000	1	124.8860	0.000	1	124.8860	0.000	1	124.8860	0.000	1	121.5850	9.704	5	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6,6]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6]-3:C[6]-3:N-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(NHH)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N)	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N){1|N<3>,3|H<1>,4|C<3>}	N(C[6]C[6,6]C[6])(H)2	121.9560	0.000	1	121.9560	0.000	1	121.9560	0.000	1	121.9560	0.000	1	121.5850	9.704	5	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6,6]	N	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6,6]-3:N-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH)	N(C[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	N(C[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	117.2440	0.000	1	117.2440	0.000	1	117.2440	0.000	1	117.2440	0.000	1	121.5850	9.704	5	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6,6]	N	3:3:3:	4:3:3:	3:1:1:	C[6,6a]-3:C[6,6]-3:N-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O)	N(C[6]C[6,6a]C[6,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6,6])(H)2	124.0070	0.000	1	124.0070	0.000	1	124.0070	0.000	1	124.0070	0.000	1	121.5850	9.704	5	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6,6]	N	3:4:3:	3:3:2:	3:1:1:	C[6,6]-3:C[6]-4:N-3:	N[6,6]-3:C[6]-3:S[6]-2:	C[6]-3:O-1:O-1:	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO)	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6])	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO){2|C<4>,4|C<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N(C[6]C[6,6]C[6])(O)2	119.8320	0.000	1	119.8320	0.000	1	119.8320	0.000	1	119.8320	0.000	1	121.5850	9.704	5	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	2:3:2:	3:3:1:	N[6]-2:C[6]-3:N-3:	O[6]-2:C[6]-3:N-2:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6,6a])(C[6]O[6]N)(NC[6a]H)	C[6](O[6]C[6,6a])(C[6]N[6]N)(NC[6a])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6,6a])(C[6]O[6]N)(NC[6a]H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]N)(NC[6a]){2|C<3>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	115.0990	0.000	1	115.0990	0.000	1	115.0990	0.000	1	115.0990	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	2:3:3:	3:4:1:	C[6]-2:C[6]-3:N-3:	C[6]-2:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH)	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH){1|C<3>,1|O<2>}	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH){2|C<3>}	N(C[6]C[6]2)(CCHH)(H)	119.3870	0.000	1	119.3870	0.000	1	119.3870	0.000	1	119.3870	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	3:3:1:	3:3:1:	N[6]-2:C[6]-3:N-3:	N[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a])(C[6]N[6]S)(NC[6]H)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6,6a])(C[6]N[6]S)(NC[6]H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S){2|C<3>}	N(C[6]C[6]N[6])2(H)	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	113.6560	2.943	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	3:3:1:	3:3:1:	N[6]-2:C[6]-3:N-3:	N[6]-3:C[6]-3:S-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a])(C[6]N[6]S)(NHN)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S)	N(C[6]C[6]N[6])(NCH)(H)	C[6](N[6]C[6,6a])(C[6]N[6]S)(NHN){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S){2|C<3>}	N(C[6]C[6]N[6])(NCH)(H)	114.8690	0.000	1	114.8690	0.000	1	114.8690	0.000	1	113.6560	2.943	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	3:3:2:	3:3:1:	S[6]-2:C[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6a]-3:H-1:	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H)	C[6](C[6]N[6]O)(C[6]S[6]N)(CN)	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(C[6]S[6]N)(CN){1|C<4>,1|H<1>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	123.1390	0.000	1	123.1390	0.000	1	123.1390	0.000	1	123.1390	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N(C[6]C[6]O[6])(H)2	127.6240	0.000	1	127.3383	0.106	3	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|S<4>,3|C<3>}	N(C[6]C[6]O[6])(H)2	127.1955	0.301	2	127.3383	0.106	3	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN){2|C<3>}	N(C[6]C[6]O[6])(H)2	127.7565	1.091	2	127.4410	0.894	3	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN){2|C<3>}	N(C[6]C[6]O[6])(H)2	126.8100	0.000	1	127.4410	0.894	3	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN){4|C<3>}	N(C[6]C[6]O[6])(H)2	127.0670	0.000	1	127.0670	0.000	1	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	N(C[6]C[6]O[6])(H)2	127.0040	0.286	3	127.0080	0.112	5	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	N(C[6]C[6]O[6])(H)2	127.3910	0.000	1	127.0080	0.112	5	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){1|S<2>,3|C<3>}	N(C[6]C[6]O[6])(H)2	126.6370	0.000	1	127.0080	0.112	5	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	N(C[6]C[6]O[6])(H)2	128.3381	0.518	19	128.1778	0.344	24	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,3|C<3>}	N(C[6]C[6]O[6])(H)2	127.2080	0.126	2	128.1778	0.344	24	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){1|S<4>,3|C<3>}	N(C[6]C[6]O[6])(H)2	127.4050	0.000	1	128.1778	0.344	24	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	N(C[6]C[6]O[6])(H)2	128.0110	0.247	2	128.1778	0.344	24	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]O[6]N)(CN){2|C<3>}	N(C[6]C[6]O[6])(H)2	128.5180	0.000	1	128.5180	0.000	1	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	N(C[6]C[6]O[6])(H)2	127.1863	0.453	4	127.2090	0.165	6	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(CN){2|C<3>}	N(C[6]C[6]O[6])(H)2	127.2545	0.449	2	127.2090	0.165	6	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|C<4>,1|O<2>,3|C<3>}	N(C[6]C[6]O[6])(H)2	127.3260	0.283	2	127.0836	0.244	8	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,1|O<2>,3|C<3>}	N(C[6]C[6]O[6])(H)2	126.7210	0.806	2	127.0836	0.244	8	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]C[5]H)(C[6]O[6]N)(CN){1|H<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	127.1437	0.441	4	127.0836	0.244	8	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN){4|C<3>}	N(C[6]C[6]O[6])(H)2	127.1910	0.000	1	127.1910	0.000	1	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	N(C[6]C[6]O[6])(H)2	127.6500	0.843	22	127.6500	0.711	22	127.6573	0.576	74	127.6573	0.576	74	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	N(C[6]C[6]O[6])(H)2	127.1813	0.209	4	127.1813	0.044	4	127.7257	0.490	30	127.7534	0.498	31	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	N(C[6]C[6]O[6])(H)2	127.5440	0.536	3	127.7048	0.295	4	127.7257	0.490	30	127.7534	0.498	31	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	N(C[6]C[6]O[6])(H)2	128.1870	0.000	1	127.7048	0.295	4	127.7257	0.490	30	127.7534	0.498	31	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	N(C[6]C[6]O[6])(H)2	127.9660	0.000	1	127.9660	0.000	1	127.7257	0.490	30	127.7534	0.498	31	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	N(C[6]C[6]O[6])(H)2	128.8745	0.482	2	128.8745	0.232	2	127.7257	0.490	30	127.7534	0.498	31	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	N(C[6]C[6]O[6])(H)2	127.7111	0.710	19	127.7111	0.504	19	127.7257	0.490	30	127.7534	0.498	31	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]N)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]N)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	N(C[6]C[6]O[6])(H)2	128.5840	0.000	1	128.5840	0.000	1	128.5840	0.000	1	127.7534	0.498	31	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:3:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O)	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O){4|C<3>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	124.3557	0.665	3	124.3557	0.442	3	124.3557	0.442	3	124.3557	0.442	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH)	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(CC3)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO){2|C<3>}	N(C[6]C[6]O[6])(CC3)(H)	126.8290	0.403	2	126.8290	0.162	2	126.1803	1.344	3	127.3728	0.692	18	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(CC3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	N(C[6]C[6]O[6])(CC3)(H)	124.8830	0.000	1	124.8830	0.000	1	126.1803	1.344	3	127.3728	0.692	18	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(C[6]C[6]2H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	N(C[6]C[6]O[6])(C[6]C[6]2H)(H)	126.3940	0.000	1	126.3940	0.000	1	126.3940	0.000	1	127.3728	0.692	18	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	N(C[6]C[6]O[6])(CH3)(H)	127.8937	0.445	4	127.8937	0.198	4	127.6983	0.182	14	127.3728	0.692	18	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO){2|C<3>}	N(C[6]C[6]O[6])(CH3)(H)	127.5730	0.300	2	127.5730	0.090	2	127.6983	0.182	14	127.3728	0.692	18	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	N(C[6]C[6]O[6])(CH3)(H)	127.7228	0.487	6	127.7228	0.237	6	127.6983	0.182	14	127.3728	0.692	18	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO)	N(C[6]C[6]O[6])(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO){2|C<3>}	N(C[6]C[6]O[6])(CC[6a]HH)(H)	127.5570	0.000	1	127.5570	0.000	1	127.6983	0.182	14	127.3728	0.692	18	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO){2|C<3>}	N(C[6]C[6]O[6])(CH3)(H)	127.1610	0.000	1	127.1610	0.000	1	127.6983	0.182	14	127.3728	0.692	18	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	2:3:3:	4:3:4:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:S-4:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]S)(NHH)	C[6](C[6]C[6,6a]HN)(C[6]O[6]N)(SC[6a]OO)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]S)(NHH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]HN)(C[6]O[6]N)(SC[6a]OO){2|C<3>}	N(C[6]C[6]O[6])(H)2	128.8940	0.000	1	128.8940	0.000	1	128.8940	0.000	1	128.8940	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:2:1:	3:4:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(NCO)	C[6](C[6]C[6]N)(C[6]N[6])(H)	N(C[6]C[6]2)(CC3)(O)	C[6](C[6]C[6]H)(C[6]C[6])(NCO){1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6])(H){1|Ni<6>,1|C<3>}	N(C[6]C[6]2)(CC3)(O)	117.7820	0.000	1	117.7820	0.000	1	117.7820	0.000	1	117.7820	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:2:1:	3:4:4:	C[6]-3:O[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]N[6]H)(O[6]B[6])(NCC)	C[6](C[6]O[6]N)(N[6]O[6])(H)	N(C[6]C[6]O[6])(CH3)2	C[6](C[6]N[6]H)(O[6]B[6])(NCC){1|O<2>,2|F<1>}	C[6](C[6]O[6]N)(N[6]O[6])(H){1|B<4>}	N(C[6]C[6]O[6])(CH3)2	122.8400	0.000	1	122.8400	0.000	1	122.8400	0.000	1	122.8400	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:2:4:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6])(CHHO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|N<3>,1|O<1>}	C[6](C[6]N[6]N)(C[6]N[6])(CHHO){1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(H)2	120.6190	0.000	1	120.6190	0.000	1	120.6190	0.000	1	120.6190	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(NOO){3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(O)2	118.3500	0.000	1	118.3500	0.000	1	118.5920	0.041	4	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>}	N(C[6]C[6]2)(O)2	118.5410	0.000	1	118.5905	0.005	2	118.5920	0.041	4	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	N(C[6]C[6]2)(O)2	118.6400	0.000	1	118.5905	0.005	2	118.5920	0.041	4	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>}	N(C[6]C[6]2)(O)2	118.8370	0.000	1	118.8370	0.000	1	118.5920	0.041	4	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)(C[6]C[6])(NOO)	C[6](C[6]C[6]N)2(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)(C[6]C[6])(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,1|H<1>}	N(C[6]C[6]2)(O)2	118.6930	0.000	1	118.6930	0.000	1	118.6930	0.000	1	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6])(NHH)	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6])(NHH){1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	122.4340	0.519	2	122.4340	0.269	2	122.4340	0.269	2	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	121.2933	0.599	3	120.5239	0.577	12	121.1346	0.985	23	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(H)2	119.7660	0.003	2	120.5239	0.577	12	121.1346	0.985	23	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.4107	0.660	7	120.5239	0.577	12	121.1346	0.985	23	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	122.6250	0.000	2	121.8007	0.596	11	121.1346	0.985	23	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|Ru<7>,1|S<2>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|Ru<7>,1|C<4>}	N(C[6]C[6]N[6])(H)2	122.4460	0.000	1	121.8007	0.596	11	121.1346	0.985	23	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|S<1>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	121.2280	0.465	4	121.8007	0.596	11	121.1346	0.985	23	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){3|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	121.8000	0.861	4	121.8007	0.596	11	121.1346	0.985	23	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(N[6]C[6]C)(H)	N(C[6]C[6]N[6])(H)2	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]N)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.1757	0.572	3	120.1757	0.327	3	120.4012	0.339	5	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	C[6](C[6]N[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.7395	0.566	2	120.7395	0.321	2	120.4012	0.339	5	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]Co)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.6230	0.611	5	120.6230	0.373	5	120.6491	0.238	8	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]Mn)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.7045	0.402	2	120.7045	0.162	2	120.6491	0.238	8	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]Zn)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.6690	0.000	1	120.6690	0.000	1	120.6491	0.238	8	120.7261	1.373	43	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC[6a]S)(H)	117.2180	0.000	1	117.2180	0.000	1	118.8420	5.275	2	117.9164	8.053	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CNO)(H)	120.4660	0.000	1	120.4660	0.000	1	118.8420	5.275	2	117.9164	8.053	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-2:N-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6,6]H)(N[6]C[6])(NC[6a]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	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](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H){1|B<4>,1|C<2>,2|C<3>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	119.8120	0.000	1	119.8120	0.000	1	119.8120	0.000	1	117.9164	8.053	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]H)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<4>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	117.9164	8.053	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]S)(N[6]C[6])(NC[6]H)	C[6](C[6]N[6]N)(N[6]C[6]H)(S)	N(C[6]C[6]N[6])2(H)	C[6](C[6]N[6]S)(N[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]N)(N[6]C[6]H)(S){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	113.3400	0.000	1	113.3400	0.000	1	113.3400	0.000	1	117.9164	8.053	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]C){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	121.3820	0.000	1	121.3820	0.000	1	121.3820	0.000	1	121.3820	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:4:2:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(N[6]C[6])(NCN)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(CH3)(NC)	C[6](C[6]C[6]H)(N[6]C[6])(NCN){1|H<1>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|Mn<5>,1|C<3>}	N(C[6]C[6]N[6])(CH3)(NC)	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-2:N-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6])(NCC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCHH)2	C[6](C[6]C[6,6]H)(C[6]C[6])(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H){3|C<3>}	N(C[6]C[6]2)(CCHH)2	120.8880	0.000	1	120.8880	0.000	1	120.8880	0.000	1	122.0310	0.611	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)(C[6]C[6])(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)(C[6]C[6])(NCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>}	N(C[6]C[6]2)(CCHH)2	121.8920	0.000	1	121.8920	0.000	1	121.8920	0.000	1	122.0310	0.611	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:4:4:	C[6]-3:N[6]-2:N-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)2	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H){1|B<4>,1|C<2>,2|C<3>}	N(C[6]C[6]N[6])(CH3)2	122.3740	0.000	1	122.7020	0.215	2	122.7020	0.215	2	122.0310	0.611	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:4:4:	C[6]-3:N[6]-2:N-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)2	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H){1|B<4>,3|C<3>}	N(C[6]C[6]N[6])(CH3)2	123.0300	0.000	1	122.7020	0.215	2	122.7020	0.215	2	122.0310	0.611	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	3:4:4:	C[6]-3:N[6]-2:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]N[6]H)(N[6]C[6])(NCC)	C[6](N[6]C[6]Cu)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)2	C[6](C[6]N[6]H)(N[6]C[6])(NCC){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CH3)2	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	122.0310	0.611	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(Br)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(Br){1|C<3>,1|C<4>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	120.7340	0.000	1	120.7340	0.000	1	120.7340	0.000	1	120.7340	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-2:N-3:	C[5]-3:C[6]-3:C[6]-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[5]C[6])(C[6]C[6])(NOO)	C[6](C[5]C[5,6]C[5])(C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(O)2	C[6](C[6]C[5]C[6])(C[6]C[6])(NOO){1|C<3>,2|C<2>}	C[6](C[5]C[5,6]C[5])(C[6]C[6]N)(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	N(C[6]C[6]2)(O)2	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	120.3866	0.851	25	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:2:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(NN)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NN){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	117.9620	0.000	1	117.9620	0.000	1	118.6313	0.566	3	120.3866	0.851	25	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:2:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NO){1|C<3>}	N(C[6]C[6]N[6])(H)2	119.4460	0.000	1	118.9660	0.461	2	118.6313	0.566	3	120.3866	0.851	25	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:2:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NO){1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(H)2	118.4860	0.000	1	118.9660	0.461	2	118.6313	0.566	3	120.3866	0.851	25	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:2:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]N[6])(N[6]C[6])(NHH)	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]N[6])	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]N[6])(N[6]C[6])(NHH){2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]N[6]){1|Cl<1>,2|H<1>,3|C<3>}	N(C[6]C[6]N[6])(H)2	120.5848	0.633	21	120.5848	0.401	21	120.5848	0.401	21	120.3866	0.851	25	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:2:	3:4:1:	C[6]-3:S[6]-2:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]C)(S[6]C[6])(NCH)	C[6](C[6]N[6]O)(C[6]S[6]N)(CN)	N(C[6]C[6]S[6])(CCCH)(H)	C[6](C[6]C[6]C)(S[6]C[6])(NCH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(C[6]S[6]N)(CN){1|C<4>,1|H<1>}	N(C[6]C[6]S[6])(CCCH)(H)	123.5170	0.000	1	123.5170	0.000	1	123.5170	0.000	1	123.5170	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(NOO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NOO){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	123.8920	0.154	2	123.8920	0.024	2	123.8920	0.024	2	121.3290	1.710	47	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]N)(N[6]C[6])(NOO)	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH)	N(C[6]C[6]N[6])(O)2	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]O)(NHH){1|C<3>,1|N<3>}	N(C[6]C[6]N[6])(O)2	120.6560	0.679	2	120.6560	0.461	2	120.6560	0.461	2	121.3290	1.710	47	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6])(NHH)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6])(NHH){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){1|Cl<1>,2|H<1>,3|C<3>}	N(C[6]C[6]N[6])(H)2	121.4110	0.687	4	120.6483	0.307	32	120.6483	0.307	32	121.3290	1.710	47	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6])(NHH)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6])(NHH){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){3|C<3>,3|H<1>}	N(C[6]C[6]N[6])(H)2	120.5393	0.449	28	120.6483	0.307	32	120.6483	0.307	32	121.3290	1.710	47	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-2:N-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	C[6](N[6]C[6]Co)(C[6]N[6]N)(COO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]N[6]N)(COO){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	122.6570	0.000	1	122.6570	0.000	1	122.6904	0.218	10	121.3290	1.710	47	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-2:N-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	C[6](N[6]C[6]Mn)(C[6]N[6]N)(COO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]N[6]N)(COO){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	122.6960	0.123	2	122.6960	0.015	2	122.6904	0.218	10	121.3290	1.710	47	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-2:N-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	C[6](N[6]C[6]Ni)(C[6]N[6]N)(COO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]N[6]N)(COO){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	122.4123	0.486	4	122.4123	0.236	4	122.6904	0.218	10	121.3290	1.710	47	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-2:N-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	C[6](N[6]C[6]Sn)(C[6]N[6]N)(COO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]N[6]N)(COO){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	123.0687	0.498	3	123.0687	0.248	3	122.6904	0.218	10	121.3290	1.710	47	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NHH)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N){1|C<4>,4|C<3>}	N(C[6]C[6]O[6])(H)2	125.7200	0.000	1	125.7200	0.000	1	125.7200	0.000	1	121.3290	1.710	47	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:3:1:	C[6]-3:O[6]-2:N-3:	C[5a,6]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H){1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]N)(COO){1|N<3>,3|C<3>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	127.3540	0.006	2	127.3540	0.000	2	127.3540	0.000	2	124.7737	19.974	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:3:1:	C[6]-3:S[6]-2:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H)	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H)	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H){1|S<1>,2|C<3>}	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H){1|C<3>,1|O<2>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	119.6130	0.000	1	119.6130	0.000	1	119.6130	0.000	1	124.7737	19.974	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:4:3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C-4:N-3:	C[6](C[6]N[6]N)(N[6]C[6])(NCN)	C[6](C[6]N[6]N)(N[6]C[6]O)(NOO)	N(C[6]C[6]N[6])(CH3)(NOO)	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]O)(NOO){1|C<3>,1|N<3>}	N(C[6]C[6]N[6])(CH3)(NOO)	123.0180	0.000	1	123.0180	0.000	1	123.0180	0.000	1	123.0180	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:3:	3:4:4:	C[6]-3:N[6]-2:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:S-4:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6,6])(NCS)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N)	N(C[6]C[6]N[6])(SC[6a]OO)(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6,6])(NCS){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)(CH3)	117.1230	0.000	1	117.1230	0.000	1	117.1230	0.000	1	117.1230	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	121.0001	0.838	27	121.0001	0.703	27	121.3892	0.930	40	121.3892	0.930	40	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	122.2346	0.691	9	122.2346	0.478	9	121.3892	0.930	40	121.3892	0.930	40	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[6]HH)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[6]HH){1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(H)2	122.1142	0.718	4	122.1142	0.515	4	121.3892	0.930	40	121.3892	0.930	40	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	3:3:4:	3:4:4:	C[6]-3:O[6]-2:N-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:S-4:C-4:	C[6](C[6]C[6,6a]C)(O[6]C[6])(NCS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH)	N(C[6]C[6]O[6])(SC[6a]OO)(CCHH)	C[6](C[6]C[6,6a]C)(O[6]C[6])(NCS){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]O[6])(SC[6a]OO)(CCHH)	121.1920	0.000	1	121.1920	0.000	1	121.1920	0.000	1	121.1920	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]N[6])(H)2	126.7060	0.000	1	126.3410	0.266	2	126.3410	0.266	2	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]N[6])(H)2	125.9760	0.000	1	126.3410	0.266	2	126.3410	0.266	2	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	C[6](C[5,6]C[5,6]C[5]2)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]O[6]N)(CN){1|S<4>,2|O<1>,3|C<3>}	N(C[6]C[6]O[6])(H)2	126.9190	0.000	1	126.9190	0.000	1	127.3739	1.246	22	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,1|S<4>,3|C<3>}	N(C[6]C[6]O[6])(H)2	127.5800	0.000	1	127.5800	0.000	1	127.3739	1.246	22	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<2>,3|C<3>}	C[6](C[5,6]C[5,6a]2C[5a,6])(C[6]O[6]N)(CN){1|N<2>,5|C<3>}	N(C[6]C[6]O[6])(H)2	126.2670	0.000	1	126.2670	0.000	1	127.3739	1.246	22	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	126.7033	0.188	3	126.8987	0.661	6	127.3739	1.246	22	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	127.0940	1.225	3	126.8987	0.661	6	127.3739	1.246	22	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<3>,3|C<3>}	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	N(C[6]C[6]O[6])(H)2	124.2700	0.000	1	124.2700	0.000	1	127.3739	1.246	22	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	127.7125	0.393	4	127.9012	0.294	5	127.3739	1.246	22	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,1|S<4>,3|C<3>}	N(C[6]C[6]O[6])(H)2	128.6560	0.000	1	127.9012	0.294	5	127.3739	1.246	22	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	127.4050	0.904	3	127.4050	0.817	3	127.3739	1.246	22	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	128.5192	0.565	4	128.5192	0.320	4	127.3739	1.246	22	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(CN){2|C<3>}	N(C[6]C[6]O[6])(H)2	128.5705	0.021	2	128.5705	0.000	2	127.8234	0.861	19	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){4|C<3>}	N(C[6]C[6]O[6])(H)2	128.1133	0.418	14	127.7355	0.891	17	127.8234	0.861	19	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(CN){1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[6]O[6])(H)2	125.9723	0.574	3	127.7355	0.891	17	127.8234	0.861	19	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:S[6]-2:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	C[6](C[6]C[6]HH)(C[6]S[6]N)(CN)	N(C[6]C[6]S[6])(H)2	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]N)(CN){1|C<4>,2|H<1>}	N(C[6]C[6]S[6])(H)2	123.6890	0.000	1	123.6890	0.000	1	123.6890	0.000	1	127.4373	1.426	44	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	127.1640	0.000	1	127.1640	0.000	1	126.8693	0.219	3	126.7885	0.172	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	126.3300	0.000	1	126.3300	0.000	1	126.8693	0.219	3	126.7885	0.172	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	127.1140	0.000	1	127.1140	0.000	1	126.8693	0.219	3	126.7885	0.172	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6]-4:C[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5a]C[6])(O[6]C[6,6])(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5a]C[6])(O[6]C[6,6])(NHH){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N){1|C<4>,1|N<2>,4|C<3>}	N(C[6]C[6]O[6])(H)2	126.5460	0.000	1	126.5460	0.000	1	126.5460	0.000	1	126.7885	0.172	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:3:	3:4:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO)	N(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(CH3)(H)	126.7370	0.000	1	126.7370	0.000	1	126.7370	0.000	1	127.5654	1.873	10	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:3:	3:4:1:	C[6]-3:O[6]-2:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(CC3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO){2|C<3>}	N(C[6]C[6]O[6])(CC3)(H)	125.5410	0.000	1	125.2265	0.198	2	125.2265	0.198	2	127.5654	1.873	10	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:3:	3:4:1:	C[6]-3:O[6]-2:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(CC3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO){2|C<3>}	N(C[6]C[6]O[6])(CC3)(H)	124.9120	0.000	1	125.2265	0.198	2	125.2265	0.198	2	127.5654	1.873	10	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:3:	3:4:1:	C[6]-3:O[6]-2:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]N)(O[6]C[6])(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO)	N(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[6]N)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO){1|C<2>,3|C<3>}	N(C[6]C[6]O[6])(CH3)(H)	128.3520	0.342	7	128.3520	0.117	7	128.3520	0.117	7	127.5654	1.873	10	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:3:	3:4:4:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C-4:S-4:	C[6](C[6]C[5,6]C[6a])(O[6]C[6])(NCS)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]N)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[5,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]N){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	126.1695	0.979	2	126.1695	0.959	2	126.1695	0.959	2	126.7610	1.529	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:2:3:	4:3:3:	3:4:4:	C[6]-3:O[6]-2:N-3:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C-4:S-4:	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]N)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]N){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	127.9440	0.000	1	127.9440	0.000	1	127.9440	0.000	1	126.7610	1.529	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:2:	3:2:1:	3:3:4:	C[6]-3:N-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6a]-3:C[6]-3:Si-4:	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(SiCCO)	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6]){1|C<2>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(SiCCO)	121.2340	0.000	1	121.2340	0.000	1	121.2340	0.000	1	121.2340	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	2:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-2:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCHH)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NCC){1|C<3>,1|O<2>}	C[6](C[6]C[6,6])(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CCHH)2	122.2690	0.000	1	122.2690	0.000	1	122.2690	0.000	1	122.2690	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	2:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	O[6]-2:C[6]-3:N-2:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H)	C[6](O[6]C[5a,6])(C[6]C[6]N)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]N)(NC[6a]){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	112.1800	0.000	1	112.1800	0.000	1	112.1800	0.000	1	112.1800	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]C[6])(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	122.4030	0.000	1	122.4030	0.000	1	122.4030	0.000	1	120.9270	7.521	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]C[6])(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	118.8950	0.000	1	118.4430	0.409	2	118.4430	0.409	2	120.9270	7.521	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]C[6])(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6]C[6]2)(O)2	117.9910	0.000	1	118.4430	0.409	2	118.4430	0.409	2	120.9270	7.521	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(NOO)	C[6](C[6]C[6]N)(N[6]C[6])(H)	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]H)(C[6]N[6]O)(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6])(H){1|N<3>,2|O<1>}	N(C[6]C[6]2)(O)2	118.7530	0.188	3	118.7530	0.035	3	118.7530	0.035	3	120.9270	7.521	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]O)2(NOO)	C[6](C[6]C[6]N)(N[6]C[6])(O)	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]O)2(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6])(O){1|N<3>,2|O<1>}	N(C[6]C[6]2)(O)2	118.8880	0.651	4	118.7010	0.358	6	118.7010	0.358	6	120.9270	7.521	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]O)2(NOO)	C[6](C[6]C[6]N)(N[6]C[6])(O)	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]O)2(NOO){1|C<3>}	C[6](C[6]C[6]N)(N[6]C[6])(O){1|N<2>,2|O<1>}	N(C[6]C[6]2)(O)2	118.3270	0.310	2	118.7010	0.358	6	118.7010	0.358	6	120.9270	7.521	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]C[6])(Br)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	C[6](C[6]N[6]N)(C[6]C[6])(Br){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	126.0600	0.000	1	126.0600	0.000	1	126.0600	0.000	1	120.9270	7.521	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]C[6])(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	C[6](C[6]N[6]N)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	124.9670	0.000	1	124.9670	0.000	1	124.9670	0.000	1	120.9270	7.521	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(N[6]C[6])(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>}	C[6](C[6]N[6]N)(N[6]C[6])(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.2930	1.090	6	123.2930	1.189	6	123.2930	1.189	6	120.9270	7.521	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]C[6])(Cl)	N(C[6]C[6]2)(CNS)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6])(Cl){1|C<2>,2|H<1>}	N(C[6]C[6]2)(CNS)(H)	120.8880	0.000	1	120.8880	0.000	1	120.8880	0.000	1	120.1209	13.061	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]C[6])(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(CCO)(H)	123.2210	0.000	1	123.2210	0.000	1	121.1822	8.210	4	120.1209	13.061	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]C[6])(H)	N(C[6]C[6]2)(CNS)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|Cl<1>,1|C<2>,1|H<1>}	N(C[6]C[6]2)(CNS)(H)	120.0170	0.000	1	120.0170	0.000	1	121.1822	8.210	4	120.1209	13.061	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]C[6])(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(CCO)(H)	117.6850	0.000	1	117.6850	0.000	1	121.1822	8.210	4	120.1209	13.061	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]C[6])(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	123.8060	0.000	1	123.8060	0.000	1	121.1822	8.210	4	120.1209	13.061	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(NCH)	C[6](C[6]C[6]N)(O[6]C[6])(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(O[6]C[6])(O){2|C<3>,2|C<4>}	N(C[6]C[6]2)(CC[6a]O)(H)	115.5350	1.530	2	115.5350	2.341	2	115.5350	2.341	2	120.1209	13.061	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Cu)(C[6]N[6]H)(NCH)	C[6](C[6]N[6]N)(N[6]C[6])(H)	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](N[6]C[6]Cu)(C[6]N[6]H)(NCH){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>}	N(C[6]C[6]N[6])(CC[5]O)(H)	124.2800	0.000	1	124.2800	0.000	1	124.2800	0.000	1	120.1209	13.061	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)2(NC[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H)	N(C[6]C[6]N[6])2(C[6]C[6]2)	C[6](C[6]C[6]H)2(NC[6]2){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])2(C[6]C[6]2)	119.2420	0.000	2	119.2420	0.000	2	119.2420	0.000	2	119.2420	0.000	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(C[6]N[6]N)(NHH)	C[6](C[6]C[6]N)(N[6]C[6])(CN)	N(C[6]C[6]2)(H)2	C[6](C[6]N[6]C)(C[6]N[6]N)(NHH){1|C<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>}	N(C[6]C[6]2)(H)2	125.6570	0.000	1	125.6570	0.000	1	125.6570	0.000	1	125.6570	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:O[6]-2:N-2:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H)	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a]){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	112.5380	0.000	1	112.5380	0.000	1	116.1500	26.093	2	116.1500	26.093	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:O[6]-2:N-2:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(C[6]O[6]N)(NC[6a]H)	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]C)(C[6]O[6]N)(NC[6a]H){1|C<3>}	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a]){1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.7620	0.000	1	119.7620	0.000	1	116.1500	26.093	2	116.1500	26.093	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(NOO)	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]N)(C[6]N[6]O)(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	N(C[6]C[6]2)(O)2	121.2570	0.133	2	121.2570	0.018	2	121.2570	0.018	2	125.1036	5.749	14	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(N[6]C[6])(COO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>}	C[6](C[6]N[6]N)(N[6]C[6])(COO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	125.3702	0.466	8	125.3702	0.217	8	125.3702	0.217	8	125.1036	5.749	14	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH)	C[6](C[6]N[6]N)(N[6]C[6])(NOO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|N<3>}	C[6](C[6]N[6]N)(N[6]C[6])(NOO){1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]N[6])(H)2	129.4295	0.585	2	129.4295	0.342	2	129.4295	0.342	2	125.1036	5.749	14	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]N)(N[6]C[6]O)(NOO)	C[6](C[6]N[6]N)(N[6]C[6])(NCN)	N(C[6]C[6]N[6])(O)2	C[6](C[6]N[6]N)(N[6]C[6]O)(NOO){1|C<3>,1|N<3>}	C[6](C[6]N[6]N)(N[6]C[6])(NCN){1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]N[6])(O)2	123.5580	0.700	2	123.5580	0.490	2	123.5580	0.490	2	125.1036	5.749	14	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(C[6]O[6]N)(NC[6a]H)	C[6](C[6]C[6]N)(N[6]C[6])(COO)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]C)(C[6]O[6]N)(NC[6a]H){1|C<3>}	C[6](C[6]C[6]N)(N[6]C[6])(COO){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H)	N(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(NOO){2|C<3>,3|C<4>}	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H){1|H<1>,2|N<3>}	N(C[6]C[5,6]C[6])(O)2	117.5370	0.000	1	117.5370	0.000	1	118.4534	0.751	5	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H)	N(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(NOO){1|Si<5>,1|C<3>,2|C<4>}	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>}	N(C[6]C[5,6]C[6])(O)2	118.6825	0.807	4	118.6825	0.652	4	118.4534	0.751	5	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO)	C[6](C[6]C[5a,6]N)(C[6]C[6,6]N)(H)	N(C[6]C[5a,6]C[6])(O)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[5a,6]N)(C[6]C[6,6]N)(H){1|N<2>,1|N<3>,2|C<3>}	N(C[6]C[5a,6]C[6])(O)2	119.8490	0.000	1	119.8490	0.000	1	119.3590	0.480	2	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO)	C[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	N(C[6]C[5a,6]C[6])(O)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	N(C[6]C[5a,6]C[6])(O)2	118.8690	0.000	1	118.8690	0.000	1	119.3590	0.480	2	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H)	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6,6]C[6])(H)2	120.3200	0.000	1	120.3200	0.000	1	120.3200	0.000	1	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH)	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(Cl)	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH){1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(Cl){1|C<3>,1|N<2>,1|O<1>}	N(C[6]C[6,6a]C[6])(H)2	123.7510	0.000	1	123.7510	0.000	1	123.7510	0.000	1	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(H)2	120.0930	0.096	2	120.5402	0.249	6	120.5402	0.249	6	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N(C[6]C[6,6a]C[6])(H)2	120.8040	0.765	2	120.5402	0.249	6	120.5402	0.249	6	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(H)2	120.7235	0.214	2	120.5402	0.249	6	120.5402	0.249	6	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	N(C[6]C[6,6a]C[6])(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(O)2	116.2685	0.087	2	116.1023	0.087	3	116.1023	0.087	3	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	N(C[6]C[6,6a]C[6])(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	N(C[6]C[6,6a]C[6])(O)2	115.7700	0.000	1	116.1023	0.087	3	116.1023	0.087	3	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O)	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N(C[6]C[6]2)(H)2	113.0160	0.000	1	112.6630	0.249	2	112.6630	0.249	2	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O)	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O){1|C<4>,1|N<3>,3|C<3>}	N(C[6]C[6]2)(H)2	112.3100	0.000	1	112.6630	0.249	2	112.6630	0.249	2	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]H)(C[6]N[6]N)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]H)(C[6]N[6]N)(NOO){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N(C[6]C[6]2)(O)2	117.5440	0.000	2	117.5440	0.000	2	117.5440	0.000	2	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NHH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	114.4790	0.000	1	114.4790	0.000	1	114.3498	0.341	4	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NHH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	114.3067	0.707	3	114.3067	0.500	3	114.3498	0.341	4	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(O)2	113.2030	0.021	2	113.2030	0.000	2	113.2030	0.000	2	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NHH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	N(C[6]C[6]2)(H)2	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(Br)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(Br){1|Br<1>,2|C<3>}	N(C[6]C[6]2)(O)2	118.3680	0.000	1	118.3680	0.000	1	118.3680	0.000	1	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:F-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]F)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(F)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]F)2(NOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(F){1|C<3>,1|F<1>,1|O<1>}	N(C[6]C[6]2)(O)2	121.9755	0.937	2	121.9755	0.878	2	121.9755	0.878	2	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NHH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]2)(H)2	125.6313	0.906	3	125.6313	0.821	3	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){2|C<3>}	N(C[6]C[6]2)(H)2	117.5910	0.000	1	117.5910	0.000	1	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	N(C[6]C[6]2)(H)2	121.4057	0.881	3	121.1377	0.405	6	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>}	N(C[6]C[6]2)(H)2	120.7875	0.056	2	121.1377	0.405	6	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|C<4>}	N(C[6]C[6]2)(H)2	121.0340	0.000	1	121.1377	0.405	6	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|S<1>,2|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	120.3560	0.443	2	120.3560	0.196	2	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){1|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	115.3020	0.170	2	115.3020	0.029	2	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6]C[6]2)(H)2	123.9210	0.000	1	123.9210	0.000	1	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6]C[6]2)(H)2	120.2700	0.000	1	120.9449	0.198	14	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	121.0944	0.457	8	120.9449	0.198	14	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6]C[6]2)(H)2	120.8406	0.322	5	120.9449	0.198	14	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N(C[6]C[6]2)(H)2	121.3040	0.000	1	121.3040	0.000	1	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(H)2	122.6580	0.679	2	122.6580	0.461	2	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	N(C[6]C[6]2)(H)2	124.1050	1.611	2	124.1050	2.595	2	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6]C[6]2)(H)2	120.1965	0.011	2	120.1965	0.000	2	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(NHH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	120.3370	0.000	1	120.3370	0.000	1	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	122.0486	1.277	5	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	122.5005	1.072	4	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	122.2677	0.823	26	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	122.4545	0.086	2	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	122.3700	0.303	2	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.8670	0.000	1	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.7200	0.000	1	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	122.1430	0.000	1	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	122.1420	0.000	1	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	122.4170	0.000	1	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	121.7067	0.545	4	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.6920	0.000	1	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.4980	0.000	1	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.8510	0.000	1	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	122.6986	0.570	5	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.4000	0.564	3	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	122.2720	0.000	1	122.1496	0.665	60	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	N(C[6]C[6]2)(H)2	123.1308	0.483	9	123.1308	0.233	9	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[5]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(H)2	120.5610	0.884	2	120.5610	0.781	2	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	120.8050	0.150	2	120.8050	0.022	2	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.3975	0.445	4	121.3975	0.198	4	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.3685	0.185	2	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	122.9000	0.000	1	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	120.9690	0.000	1	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.8250	0.142	4	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Au<3>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.2610	0.225	2	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(H)2	121.6193	1.008	82	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	N(C[6]C[6]2)(H)2	122.1543	1.251	4	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<5>}	N(C[6]C[6]2)(H)2	122.2485	1.137	6	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.4068	0.741	232	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.4645	1.092	2	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.8200	0.238	2	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.9068	1.298	4	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	122.1255	0.577	6	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.9112	0.959	4	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.6585	0.217	2	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	122.0060	1.383	2	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.6437	1.174	10	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.7380	0.408	4	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.0006	2.160	8	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.8130	0.483	4	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	122.1470	0.464	4	121.5203	0.779	386	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(H)2	121.6465	0.015	2	120.8960	1.690	3	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(H)2	119.3950	0.000	1	120.8960	1.690	3	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Ru<9>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	121.5010	0.000	1	121.5010	0.000	1	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(H)2	120.9500	0.962	2	120.9500	0.925	2	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	119.9800	0.000	1	119.8940	0.054	4	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	120.0880	0.000	1	119.8940	0.054	4	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	119.9510	0.000	1	119.8940	0.054	4	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	119.5570	0.000	1	119.8940	0.054	4	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NHH){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	118.4230	0.000	1	118.4230	0.000	1	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|Cl<1>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	122.7040	0.000	1	122.7040	0.000	1	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	122.3960	0.331	3	122.3960	0.110	3	121.5760	1.185	515	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	N(C[6]C[6]2)(O)2	116.5212	0.828	30	116.5212	0.685	30	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(C[6]N[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|O<1>}	N(C[6]C[6]2)(O)2	115.9810	0.000	1	115.9810	0.000	1	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N(C[6]C[6]2)(O)2	116.6680	1.167	2	116.6680	1.361	2	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|H<1>,1|O<1>,3|C<3>}	N(C[6]C[6]2)(O)2	116.3718	0.783	6	116.3718	0.612	6	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	116.1640	0.000	1	117.0520	0.509	4	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]2)(O)2	116.8020	0.000	1	117.0520	0.509	4	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	117.6210	0.167	2	117.0520	0.509	4	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<2>,2|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>}	N(C[6]C[6]2)(O)2	115.6190	0.000	1	116.4118	0.685	730	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	116.0946	0.529	17	116.4118	0.685	730	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	116.3896	0.813	669	116.4118	0.685	730	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	N(C[6]C[6]2)(O)2	117.5287	1.048	14	116.4118	0.685	730	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	116.5984	0.788	29	116.4118	0.685	730	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	N(C[6]C[6]2)(O)2	120.1212	0.819	6	120.1083	0.696	15	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(O)2	119.9340	0.000	1	120.1083	0.696	15	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	120.6475	0.305	2	120.1083	0.696	15	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(O)2	120.2215	1.633	2	120.1083	0.696	15	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	N(C[6]C[6]2)(O)2	118.8050	0.000	1	120.1083	0.696	15	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	119.9470	1.032	2	120.1083	0.696	15	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(O)2	120.5270	0.000	1	120.1083	0.696	15	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	N(C[6]C[6]2)(O)2	118.3535	0.368	18	118.3535	0.136	18	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)2(H){3|N<3>}	N(C[6]C[6]2)(O)2	118.5900	0.000	2	118.5900	0.000	2	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<4>,2|N<3>}	C[6](C[6]C[5,6]N)(C[6]C[6]N)(H){1|C<3>,1|H<1>,2|O<2>}	N(C[6]C[6]2)(O)2	119.8685	1.117	2	119.8685	1.247	2	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[5a]C[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6]C[6]2)(O)2	119.1568	0.503	4	119.1568	0.253	4	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	119.0940	0.000	1	119.0940	0.000	1	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.6920	0.571	2	119.4131	0.233	61	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.3155	0.293	2	119.4131	0.233	61	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.3194	0.412	26	119.4131	0.233	61	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.5013	0.552	29	119.4131	0.233	61	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.3340	0.000	1	119.4131	0.233	61	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.0100	0.000	1	119.4131	0.233	61	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.6410	0.705	3	119.5722	0.268	114	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.9640	0.404	17	119.5722	0.268	114	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	118.9530	0.000	1	119.5722	0.268	114	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	118.1090	0.000	1	119.5722	0.268	114	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	119.3440	0.000	1	119.5722	0.268	114	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|H<1>,1|N<4>}	N(C[6]C[6]2)(O)2	119.2430	0.000	1	119.5722	0.268	114	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.4978	0.491	64	119.5722	0.268	114	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.5929	0.485	26	119.5722	0.268	114	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	117.8280	0.000	1	118.3187	0.204	3	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	118.7180	0.000	1	118.3187	0.204	3	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|O<2>,2|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	118.4100	0.000	1	118.3187	0.204	3	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]C[6]S)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|N<3>,1|S<4>}	C[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.6780	0.000	1	119.6780	0.000	1	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.4335	0.279	2	119.4056	0.042	5	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(O)2	119.3790	0.000	1	119.4056	0.042	5	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.6020	0.000	1	119.4056	0.042	5	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(O)2	119.1800	0.000	1	119.4056	0.042	5	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.5045	0.547	2	119.2984	0.201	36	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(O)2	119.1440	0.000	1	119.2984	0.201	36	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(O)2	119.0205	0.279	2	119.2984	0.201	36	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(O)2	119.2390	0.049	2	119.2984	0.201	36	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	118.6820	0.000	1	119.2984	0.201	36	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(O)2	119.2200	0.000	1	119.2984	0.201	36	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.7490	0.000	1	119.2984	0.201	36	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|H<1>,1|I<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.3640	0.000	2	119.2984	0.201	36	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|H<1>,2|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.2050	0.000	1	119.2984	0.201	36	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.3693	0.437	17	119.2984	0.201	36	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(O)2	119.2012	0.720	6	119.2984	0.201	36	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]I)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|H<1>,1|I<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.2220	0.000	2	119.2220	0.000	2	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	118.9925	0.405	17	119.3528	0.302	718	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|N<3>,1|S<4>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	118.2400	0.000	1	119.3528	0.302	718	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.3802	0.543	671	119.3528	0.302	718	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	118.9686	0.537	29	119.3528	0.302	718	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(O)2	118.8850	0.372	2	118.7150	0.097	4	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(O)2	118.5450	0.190	2	118.7150	0.097	4	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N(C[6]C[6]2)(O)2	119.2130	0.000	1	119.2130	0.000	1	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.0170	0.000	1	119.0117	0.008	3	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(NOO){2|Cl<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	119.0090	0.129	2	119.0117	0.008	3	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	116.8560	0.000	1	116.8560	0.000	1	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	117.8340	0.670	2	115.9762	2.224	6	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	115.0473	0.325	4	115.9762	2.224	6	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NOO){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	118.1620	0.000	1	118.1620	0.000	1	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO)	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6]C[6]2)(O)2	120.4720	0.000	1	120.0670	0.452	3	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO)	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<2>}	N(C[6]C[6]2)(O)2	119.8645	0.811	2	120.0670	0.452	3	118.0690	2.633	1774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|H<1>,2|C<3>}	N(C[6]C[6]2)(H)2	113.4225	1.086	4	113.4225	1.178	4	115.0778	4.462	9	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(H)2	114.2150	0.000	1	116.7602	3.288	4	115.0778	4.462	9	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	117.6087	0.783	3	116.7602	3.288	4	115.0778	4.462	9	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(O)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|N<3>}	N(C[6]C[6]2)(H)2	114.9690	0.000	1	114.9690	0.000	1	115.0778	4.462	9	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|C<4>}	N(C[6]C[6]2)(O)2	114.8250	0.000	1	114.8250	0.000	1	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	118.5495	0.241	2	120.3908	0.644	31	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	120.5178	0.655	29	120.3908	0.644	31	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	121.1516	0.696	17	121.2778	0.822	19	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	120.8520	0.000	1	121.2778	0.822	19	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	123.8480	0.000	1	121.2778	0.822	19	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<2>,2|N<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,1|H<1>}	N(C[6]C[6]2)(O)2	119.9010	0.000	1	119.1743	1.774	686	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(O)2	120.7239	0.215	7	119.1743	1.774	686	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	119.1620	1.330	670	119.1743	1.774	686	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	118.7571	1.360	8	119.1743	1.774	686	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(O)2	118.9340	1.267	2	118.9340	1.606	2	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(O)2	115.9394	0.556	7	117.2206	1.739	35	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,1|O<1>,1|O<2>}	N(C[6]C[6]2)(O)2	117.8438	2.095	4	117.2206	1.739	35	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|O<1>}	N(C[6]C[6]2)(O)2	118.1155	0.959	6	117.2206	1.739	35	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|O<2>}	N(C[6]C[6]2)(O)2	117.2820	1.127	18	117.2206	1.739	35	119.1800	2.060	774	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	N(C[6]C[6]2)(H)2	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.7770	0.000	1	121.8370	0.369	4	121.8370	0.369	4	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	N(C[6]C[6]2)(H)2	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.8570	0.742	3	121.8370	0.369	4	121.8370	0.369	4	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.4282	0.891	5	120.4282	0.794	5	120.8870	2.103	46	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<2>,2|H<1>}	N(C[6]C[6]2)(H)2	120.9630	0.000	1	121.0808	1.720	31	120.8870	2.103	46	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.0693	1.388	26	121.0808	1.720	31	120.8870	2.103	46	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(H)2	121.1850	1.058	4	121.0808	1.720	31	120.8870	2.103	46	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	121.3574	1.002	8	121.3574	1.005	8	120.8870	2.103	46	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	117.1485	0.943	2	117.1485	0.888	2	120.8870	2.103	46	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	118.8973	0.706	6	118.8973	0.498	6	118.4494	1.819	7	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)(C[6]N[6]H)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(O)2	115.7620	0.000	1	115.7620	0.000	1	118.4494	1.819	7	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]H)(C[6]N[6]O)(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	N(C[6]C[6]2)(O)2	121.8593	0.384	3	121.8593	0.148	3	119.4508	1.031	27	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]N)(C[6]N[6]O)(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	N(C[6]C[6]2)(O)2	119.8350	0.188	2	119.8350	0.035	2	119.4508	1.031	27	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]O)2(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]O)2(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	N(C[6]C[6]2)(O)2	118.7920	0.705	4	119.0874	0.280	22	119.4508	1.031	27	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]O)2(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]O)2(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N(C[6]C[6]2)(O)2	119.1531	0.483	18	119.0874	0.280	22	119.4508	1.031	27	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N(C[6]C[6]2)(O)2	118.2060	0.000	1	118.1487	0.076	3	118.1487	0.076	3	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(H){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	N(C[6]C[6]2)(O)2	118.1200	0.385	2	118.1487	0.076	3	118.1487	0.076	3	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Cd)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.6185	0.641	2	120.6185	0.411	2	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.3490	0.000	1	120.8625	0.126	4	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(H)2	120.7930	0.107	2	120.8625	0.126	4	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.5150	0.000	1	120.8625	0.126	4	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Cu)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.0990	0.000	1	120.4650	0.268	2	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Cu)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.8310	0.000	1	120.4650	0.268	2	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(H)2	120.0650	0.000	1	120.7352	0.322	6	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.3560	0.000	1	120.7352	0.322	6	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(H)2	120.7475	0.507	4	120.7352	0.322	6	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Mn)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.7720	0.000	1	121.7720	0.000	1	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.4180	0.000	1	121.4180	0.000	1	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Re)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	119.8076	0.442	5	119.8076	0.195	5	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Ru)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.9930	0.039	3	120.9930	0.002	3	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.9450	0.000	1	120.9450	0.000	1	120.6472	0.399	25	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	118.0250	0.000	1	118.0250	0.000	1	118.2651	0.267	9	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](N[6]C[6]Ir)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(O)2	118.4055	0.631	2	118.4055	0.399	2	118.2651	0.267	9	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	118.2125	0.872	2	118.2125	0.760	2	118.2651	0.267	9	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	119.0490	0.000	1	119.0490	0.000	1	118.2651	0.267	9	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](N[6]C[6]Pt)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(O)2	118.0625	0.281	2	118.0625	0.079	2	118.2651	0.267	9	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	117.9510	0.000	1	117.9510	0.000	1	118.2651	0.267	9	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(Br)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	125.2290	0.262	2	125.2290	0.068	2	125.3152	0.563	21	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	125.5309	0.782	14	125.3595	0.633	18	125.3152	0.563	21	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	124.9843	0.415	3	125.3595	0.633	18	125.3152	0.563	21	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	124.0860	0.000	1	125.3595	0.633	18	125.3152	0.563	21	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(Br)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	124.6910	0.000	1	124.6910	0.000	1	125.3152	0.563	21	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|Cu<5>,1|C<3>}	N(C[6]C[6]N[6])(H)2	121.0860	0.000	1	121.0860	0.000	1	124.1125	4.107	4	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	124.9290	0.000	1	124.9290	0.000	1	124.1125	4.107	4	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|N<2>,2|C<4>}	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	125.2175	0.227	2	125.2175	0.052	2	124.1125	4.107	4	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:F-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(F)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(F){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.2404	0.441	14	123.2921	0.220	15	123.2921	0.220	15	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:F-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(F)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(F){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	124.0170	0.000	1	123.2921	0.220	15	123.2921	0.220	15	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(H)2	119.8150	0.000	1	119.8150	0.000	1	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	121.8310	0.000	1	121.8310	0.000	1	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	122.2975	1.046	2	121.2265	0.606	20	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	121.4044	0.764	5	121.2265	0.606	20	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	121.6360	0.000	1	121.2265	0.606	20	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.9044	0.693	10	121.2265	0.606	20	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|I<1>}	N(C[6]C[6]N[6])(H)2	120.9250	0.000	1	121.2265	0.606	20	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	N(C[6]C[6]N[6])(H)2	121.3080	0.000	1	121.2265	0.606	20	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.4573	0.464	43	123.4382	0.214	45	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.0280	0.143	2	123.4382	0.214	45	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	124.4913	2.797	6	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.6492	0.682	39	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.8548	0.801	11	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6]C[6]N[6])(H)2	123.6462	0.630	5	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	124.5527	0.710	80	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	123.3913	0.595	13	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	123.4565	0.582	2	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	123.5135	0.440	37	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]N[6])(H)2	123.1415	0.641	6	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.4512	1.000	100	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	123.2459	0.494	21	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]N[6])(H)2	123.4095	0.515	6	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	122.8540	0.000	1	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	124.9860	0.000	1	123.7669	0.924	328	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|S<1>}	C[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	123.4545	0.419	2	123.4545	0.176	2	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Cl<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	124.4570	0.587	4	124.4570	0.344	4	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<2>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	122.7810	0.000	1	123.2714	0.550	89	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	123.3780	0.749	40	123.2714	0.550	89	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.1928	0.737	48	123.2714	0.550	89	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	C[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	124.7843	0.417	4	124.7843	0.174	4	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	125.1890	0.000	1	124.0925	1.436	28	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,1|S<1>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	124.2660	0.465	3	124.0925	1.436	28	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	125.3487	1.054	3	124.0925	1.436	28	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.4820	0.000	1	124.0925	1.436	28	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<3>,2|N<2>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	126.4550	0.000	2	124.0925	1.436	28	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){3|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.5647	0.893	18	124.0925	1.436	28	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(NHH)	C[6](C[6]N[6]2)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(NHH){1|N<2>,2|N<3>}	C[6](C[6]N[6]2)(C[6]N[6]N)(H){1|C<3>,1|O<2>,2|C<4>}	N(C[6]C[6]N[6])(H)2	123.3810	0.000	1	123.3810	0.000	1	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]N[6]H)(NHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6]C[6]N[6])(H)2	123.8640	0.000	1	123.8640	0.000	1	123.5750	1.104	524	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]N[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]N[6])(H)2	114.7400	0.000	1	114.7400	0.000	1	114.7400	0.000	1	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]Fe)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	122.2670	0.000	1	122.2670	0.000	1	122.2670	0.000	1	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(NHH)	C[6](C[6]N[5,6]N)(C[6]N[6]H)(H)	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	N(C[6]N[5,6]C[6])(H)2	127.8020	0.305	2	129.8622	16.424	4	129.8622	16.424	4	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(NHH)	C[6](C[6]N[5,6]N)(C[6]N[6]H)(H)	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[5,6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|N<2>}	N(C[6]N[5,6]C[6])(H)2	131.9225	5.675	2	129.8622	16.424	4	129.8622	16.424	4	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[5a,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH)	C[6](C[6]N[5a,6]N)(C[6]N[6]H)(H)	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6]N[5a,6]C[6])(H)2	127.0220	0.000	1	127.0220	0.000	1	127.0220	0.000	1	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H){1|Co<6>,2|C<3>}	N(C[6]C[6]N[6])(H)2	120.7040	0.646	2	120.7040	0.418	2	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Co<6>,2|C<3>}	N(C[6]C[6]N[6])(H)2	119.4470	0.000	1	119.4470	0.000	1	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Ca<10>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.9190	0.000	1	120.8880	0.002	2	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Ca<8>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.8570	0.000	1	120.8880	0.002	2	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<8>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.9715	0.190	4	120.9715	0.036	4	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.8540	0.438	4	120.3259	0.925	7	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	118.3910	0.000	1	120.3259	0.925	7	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<8>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.2370	0.313	2	120.3259	0.925	7	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.5305	0.394	2	120.5305	0.155	2	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.2750	0.000	1	120.2750	0.000	1	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.0157	0.418	4	120.3960	0.249	9	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.7002	0.327	5	120.3960	0.249	9	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	119.4520	0.000	1	119.4520	0.000	1	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.2090	0.000	1	120.9513	0.326	4	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(H)2	121.1987	0.348	3	120.9513	0.326	4	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(H)2	122.0730	0.000	1	120.2570	2.535	3	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	119.1000	0.000	1	120.2570	2.535	3	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,2|C<3>}	N(C[6]C[6]N[6])(H)2	119.5980	0.000	1	120.2570	2.535	3	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.0740	0.000	1	120.3080	0.358	6	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	119.4920	0.000	1	120.3080	0.358	6	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<8>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.5705	0.514	4	120.3080	0.358	6	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	121.0540	0.000	1	121.0540	0.000	1	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.8855	1.529	6	120.6266	1.706	10	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	121.0080	0.000	1	120.6266	1.706	10	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	119.9817	0.967	3	120.6266	1.706	10	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(H)2	120.5473	0.404	3	120.5473	0.163	3	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.2510	0.871	2	120.3073	0.389	3	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.4200	0.000	1	120.3073	0.389	3	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH){1|N<2>,1|N<3>,1|S<2>}	C[6](C[6]N[6]N)2(H){1|Ru<7>,1|C<4>}	N(C[6]C[6]N[6])(H)2	121.6200	0.000	1	121.6200	0.000	1	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.1710	0.065	2	120.9857	1.664	16	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	118.2010	0.501	2	120.9857	1.664	16	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|Zn<4>,1|C<3>}	N(C[6]C[6]N[6])(H)2	121.2090	0.000	1	120.9857	1.664	16	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(H)2	121.8060	0.000	1	120.9857	1.664	16	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	121.6013	0.611	10	120.9857	1.664	16	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(H)2	121.0270	0.000	1	120.3673	0.604	3	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.0375	0.745	2	120.3673	0.604	3	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6]N)(C[6]N[6]O)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	122.7900	0.000	1	122.7900	0.000	1	120.6343	0.927	80	119.6926	6.363	3876	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	N(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(NC)(H)	121.2773	0.481	6	121.2773	0.232	6	121.2773	0.232	6	120.7984	7.717	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN){1|C<3>,1|N<3>,1|S<4>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(NC)(H)	122.9890	0.000	1	122.9890	0.000	1	122.9890	0.000	1	120.7984	7.717	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN)	C[6](C[6]C[6]N)(C[6]C[6]S)(O)	N(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN){1|C<3>,1|N<3>,1|S<4>}	C[6](C[6]C[6]N)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NC)(H)	113.7070	0.000	1	113.7070	0.000	1	113.7070	0.000	1	120.7984	7.717	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(NC[6a])(H)	122.8260	0.000	1	122.8260	0.000	1	122.8260	0.000	1	120.7984	7.717	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	121.0030	0.000	1	121.0030	0.000	1	122.0430	0.811	3	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	122.5630	0.018	2	122.5630	0.000	2	122.0430	0.811	3	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	N(C[6]C[6,6a]C[6])(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(NCH)(H)	121.6640	0.000	1	121.6640	0.000	1	121.6640	0.000	1	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	125.3507	1.153	3	125.3507	1.330	3	125.3507	1.330	3	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[5a]N[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[5a]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	N(C[5a]N[5a]S[5a])(C[6]C[6]2)(H)	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CCO)(H)	114.4730	0.000	1	114.4730	0.000	1	113.6304	3.065	13	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	114.2790	0.000	1	114.2790	0.000	1	113.6304	3.065	13	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|O<2>,3|C<3>}	N(C[6]C[6]2)(CCO)(H)	113.5840	1.127	5	113.5840	1.270	5	113.6304	3.065	13	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	111.9000	0.000	1	111.9000	0.000	1	113.6304	3.065	13	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	N(C[6]C[6]2)(COO)(H)	110.9325	0.269	2	110.9325	0.073	2	113.6304	3.065	13	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	N(C[6]C[6]2)(CCO)(H)	115.5860	0.855	3	115.5860	0.730	3	113.6304	3.065	13	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	110.8100	0.000	1	110.8100	0.000	1	111.7837	0.966	8	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	111.7085	0.018	2	111.7085	0.000	2	111.7837	0.966	8	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	110.0570	0.000	1	110.0570	0.000	1	111.7837	0.966	8	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	111.8990	0.000	1	111.8990	0.000	1	111.7837	0.966	8	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	112.5530	0.000	1	112.6957	0.157	3	111.7837	0.966	8	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	112.7670	0.532	2	112.6957	0.157	3	111.7837	0.966	8	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	128.9455	0.347	2	128.9455	0.121	2	128.9455	0.121	2	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[5a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	N(C[5a]N[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[5a]H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	N(C[5a]N[5a]S[5a])(C[6]C[6]2)(H)	128.0350	0.000	1	128.0350	0.000	1	128.0350	0.000	1	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CCO)(H)	125.7530	0.000	1	125.7530	0.000	1	125.2840	0.440	2	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	124.8150	0.000	1	124.8150	0.000	1	125.2840	0.440	2	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	129.1160	0.000	1	129.1160	0.000	1	129.1160	0.000	1	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[3,6]O)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]N)(H){1|C<4>,1|O<1>,2|O<2>}	N(C[6]C[6]2)(CCO)(H)	126.1650	0.607	2	126.1650	0.368	2	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CCO)(H)	125.6398	0.508	5	125.6398	0.258	5	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	127.0420	0.000	1	127.0420	0.000	1	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]2)(COO)(H)	128.4695	1.186	2	128.4695	1.406	2	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6]C[6]2)(CCO)(H)	125.2190	0.000	1	125.2190	0.000	1	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CCO)(H)	116.7030	0.000	1	116.7030	0.000	1	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNN)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CNN)(H)	120.7880	0.000	1	120.7880	0.000	1	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	119.0268	1.439	4	119.0268	2.070	4	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CCO)(H)	125.8940	0.000	1	125.8940	0.000	1	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[5]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CC[5]O)(H)	125.1405	0.310	2	125.1405	0.096	2	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[5a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CC[5a]O)(H)	125.9800	0.424	4	125.9800	0.180	4	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CC[6]O)(H)	115.9820	0.000	1	115.9820	0.000	1	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	121.8920	3.635	3	122.9207	5.672	55	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	118.9430	0.000	1	122.9207	5.672	55	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	124.0005	1.894	6	122.9207	5.672	55	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	123.3116	2.052	41	122.9207	5.672	55	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	119.0600	0.741	4	122.9207	5.672	55	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	N(C[6]C[6]2)(CNN)(H)	121.0230	0.000	1	121.0230	0.000	1	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	119.1743	1.236	3	120.1427	6.881	53	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	118.5200	0.932	2	120.1427	6.881	53	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	120.5648	3.355	10	120.1427	6.881	53	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	121.9349	2.993	8	120.1427	6.881	53	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	117.8140	0.285	4	120.1427	6.881	53	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	120.2290	0.000	1	120.1427	6.881	53	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	119.2408	0.901	4	120.1427	6.881	53	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	118.2575	0.824	2	120.1427	6.881	53	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	119.2378	1.164	11	120.1427	6.881	53	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	120.9863	3.182	6	120.1427	6.881	53	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	124.6890	0.373	2	120.1427	6.881	53	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CN[5]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CN[5]O)(H)	120.1050	2.738	2	120.1050	7.496	2	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(COO)(H)	120.5337	3.652	6	122.1572	11.857	12	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(COO)(H)	118.8950	0.000	1	122.1572	11.857	12	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(COO)(H)	124.7578	0.931	5	122.1572	11.857	12	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CCO)(H)	116.3940	0.000	1	119.7755	22.869	2	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(CCO)(H)	123.1570	0.000	1	119.7755	22.869	2	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	116.6840	0.000	1	116.6840	0.000	1	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNS)(H)	C[6](C[6]C[6]H)2(NCH){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CNS)(H)	119.8920	0.967	2	119.8920	0.936	2	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CCO)(H)	120.9700	3.619	4	120.9170	9.518	24	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CCO)(H)	120.6584	3.360	10	120.9170	9.518	24	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CCO)(H)	121.1010	3.039	2	120.9170	9.518	24	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CCO)(H)	121.1676	3.106	8	120.9170	9.518	24	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC[5]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC[5]O)(H)	121.4620	3.755	16	121.4620	14.100	16	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	121.1578	3.112	12	121.1339	9.271	40	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	120.8487	3.093	6	121.1339	9.271	40	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	120.9685	4.724	2	121.1339	9.271	40	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	121.1810	3.794	6	121.1339	9.271	40	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	121.3560	3.879	4	121.1339	9.271	40	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	121.6220	4.921	2	121.1339	9.271	40	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	121.1763	2.571	6	121.1339	9.271	40	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	120.8095	2.999	2	121.1339	9.271	40	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	121.1327	3.893	10	121.2461	14.362	12	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CNO)(H)	121.8130	4.561	2	121.2461	14.362	12	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CN[5]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CN[5]O)(H)	120.8822	4.933	4	120.8822	24.337	4	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CCO)(H)	123.4840	0.000	1	123.4840	0.000	1	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(CCO)(H)	120.0955	4.750	2	120.0955	22.559	2	121.6018	10.478	252	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)2(H)	C[6](C[6]C[6]H)2(NC[6]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)2(H)	120.9955	4.177	47	121.0421	18.638	51	121.0421	18.638	51	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)2(H)	C[6](C[6]C[6]H)2(NC[6]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)2(H)	121.7860	8.259	2	121.0421	18.638	51	121.0421	18.638	51	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)2(H)	C[6](C[6]C[6]H)2(NC[6]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)2(H)	121.3925	7.721	2	121.0421	18.638	51	121.0421	18.638	51	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)2(NHN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(NHH)(H)	C[6](C[6]C[6]H)2(NHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NHH)(H)	121.2110	2.465	2	121.2110	6.076	2	120.8580	28.406	8	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)2(NHN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(NOO)(H)	C[6](C[6]C[6]H)2(NHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(NOO)(H)	120.9780	8.160	2	120.7403	38.486	6	120.8580	28.406	8	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)2(NHN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(NOO)(H)	C[6](C[6]C[6]H)2(NHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NOO)(H)	120.6215	6.472	4	120.7403	38.486	6	120.8580	28.406	8	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6,6a]N)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	127.1950	0.000	1	127.1950	0.000	1	122.9018	11.394	23	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	126.6190	1.327	2	126.6190	1.760	2	122.9018	11.394	23	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.6720	0.888	3	122.6720	0.789	3	122.9018	11.394	23	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	127.2500	0.000	1	127.2500	0.000	1	122.9018	11.394	23	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	125.9230	1.498	2	125.9230	2.243	2	122.9018	11.394	23	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]N)2(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	126.5930	0.000	1	126.5930	0.000	1	122.9018	11.394	23	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.8695	0.336	2	121.8512	0.316	4	122.9018	11.394	23	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.8330	0.914	2	121.8512	0.316	4	122.9018	11.394	23	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.3930	2.309	4	121.3948	6.576	8	122.9018	11.394	23	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.2015	5.098	2	121.3948	6.576	8	122.9018	11.394	23	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.5915	1.976	2	121.3948	6.576	8	122.9018	11.394	23	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H){2|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	114.0410	0.000	1	114.0410	0.000	1	122.9018	11.394	23	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(NC[6a]O)	C[6](C[6]C[6]Br)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(NC[6a]O){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	119.8880	3.096	2	119.8880	9.583	2	120.5284	4.039	22	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(NC[6a]O)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(NC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.5924	1.978	20	120.5924	3.913	20	120.5284	4.039	22	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|O<2>,2|C<3>}	N(C[6]C[6]2)(CCO)(H)	116.5380	0.000	1	116.5380	0.000	1	118.8537	15.783	3	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CCO)(H)	123.4410	0.000	1	123.4410	0.000	1	118.8537	15.783	3	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CNN)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNN)(H)	116.5820	0.000	1	116.5820	0.000	1	118.8537	15.783	3	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	113.8360	0.000	1	113.2640	2.155	3	113.2640	2.155	3	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	112.9780	1.954	2	113.2640	2.155	3	113.2640	2.155	3	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	119.4947	3.343	3	119.4947	11.173	3	121.5053	10.881	28	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	122.9283	1.010	3	122.9283	1.021	3	121.5053	10.881	28	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CCO)(H)	116.0820	0.000	1	116.0820	0.000	1	121.5053	10.881	28	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(CC[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6]O)(H)	124.5990	0.000	1	124.5990	0.000	1	121.5053	10.881	28	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(CNN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(CNN)(H)	119.5860	0.000	1	119.5860	0.000	1	121.5053	10.881	28	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	121.5684	3.532	10	121.5684	12.478	10	121.5053	10.881	28	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(COO)(H)	121.2473	3.829	6	121.2473	14.662	6	121.5053	10.881	28	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	122.8645	1.032	2	122.8645	1.064	2	121.5053	10.881	28	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(CC[6a]O)(H)	125.7140	0.000	1	125.7140	0.000	1	121.5053	10.881	28	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6,6a]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	116.5620	1.086	3	116.5620	1.180	3	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Cd)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	120.3164	3.383	8	120.3164	11.443	8	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	122.4740	0.000	1	122.4740	0.000	1	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	124.0235	0.265	4	124.0235	0.070	4	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Hg)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[5]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[5]O)(H)	116.9115	0.719	2	116.9115	0.517	2	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Hg)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	117.8868	1.577	6	117.8868	2.486	6	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Hg)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	121.3540	0.000	1	122.6156	0.896	5	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Hg)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	122.9310	0.729	4	122.6156	0.896	5	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Mn)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	123.3825	0.844	2	123.3825	0.712	2	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[5a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[5a]O)(H)	115.5800	0.058	4	115.5800	0.003	4	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	118.1972	1.384	40	118.1972	1.915	40	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	122.2945	0.796	4	122.7167	0.771	15	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	122.8702	0.890	11	122.7167	0.771	15	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Pt)(C[6]C[6]N)(H)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(COO)(H)	123.8740	0.000	1	118.6217	7.046	6	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Pt)(C[6]C[6]N)(H)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(COO)(H)	117.5712	0.729	5	118.6217	7.046	6	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	122.6475	1.075	4	122.6475	1.155	4	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	121.3738	3.859	6	120.2668	14.853	8	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	116.9455	0.310	2	120.2668	14.853	8	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CN[5]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CN[5]O)(H)	121.4115	3.499	2	121.4115	12.246	2	119.7273	8.304	110	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[5a]N[5a]S[5a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6]C[6]N[6])(H)	120.9645	0.469	2	120.9645	0.220	2	120.9645	0.220	2	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	123.5504	0.798	5	123.5504	0.637	5	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	126.6900	0.000	1	126.7775	0.015	2	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	126.8650	0.000	1	126.7775	0.015	2	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6]O)(H)	122.3646	2.010	35	122.3646	4.042	35	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]N)(H)	125.3790	0.000	1	125.3790	0.000	1	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	121.9515	0.697	2	123.1764	6.413	5	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	123.9930	3.175	3	123.1764	6.413	5	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CNO)(H)	121.8715	1.239	4	121.8715	1.536	4	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CNS)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CNS)(H)	119.5865	0.060	2	119.5865	0.004	2	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]N[6])(CCO)(H)	127.3230	0.000	1	127.4375	0.026	2	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]N[6])(CCO)(H)	127.5520	0.000	1	127.4375	0.026	2	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]N[6])(CC[5]O)(H)	128.7135	0.166	2	128.7135	0.028	2	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	127.8686	0.964	8	127.8686	0.930	8	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]N[6])(CNO)(H)	129.0200	0.000	1	129.0200	0.000	1	123.6755	8.412	67	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])2(H)	124.8310	0.037	2	124.8310	0.001	2	124.8310	0.001	2	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	119.9820	0.000	1	119.9820	0.000	1	123.3981	4.812	9	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	122.9090	0.000	1	122.9090	0.000	1	123.3981	4.812	9	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	123.8283	2.178	6	123.9560	4.068	7	123.3981	4.812	9	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	124.7220	0.000	1	123.9560	4.068	7	123.3981	4.812	9	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	123.2460	0.000	1	123.2460	0.000	1	121.7830	9.093	24	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	120.7740	0.000	1	121.3004	7.464	21	121.7830	9.093	24	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	119.9450	0.000	1	121.3004	7.464	21	121.7830	9.093	24	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	121.3995	2.858	19	121.3004	7.464	21	121.7830	9.093	24	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	128.8790	0.000	1	128.8790	0.000	1	121.7830	9.093	24	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<6>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	123.3580	0.000	1	123.3580	0.000	1	121.7830	9.093	24	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)	117.2130	0.000	1	117.2130	0.000	1	117.2130	0.000	1	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(H)	116.5510	0.000	1	116.5510	0.000	1	116.4270	0.031	2	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(H)	116.3030	0.000	1	116.3030	0.000	1	116.4270	0.031	2	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:B-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(NBH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(BClOs)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NBH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(BClOs)(H)	123.5840	0.000	1	123.5840	0.000	1	123.3267	0.052	3	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:B-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(NBH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(BOsO)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NBH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(BOsO)(H)	123.1980	0.062	2	123.1980	0.004	2	123.3267	0.052	3	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]N[6])(COO)(H)	124.8000	0.000	1	124.8000	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	117.6230	0.000	1	120.1933	8.794	7	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	122.5373	0.583	4	120.1933	8.794	7	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	116.7905	0.009	2	120.1933	8.794	7	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6]O)(H)	117.1330	0.000	1	117.1330	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCH)(H)	123.5570	0.000	1	123.5570	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	116.6743	0.832	4	118.0040	9.361	5	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	123.3230	0.000	1	118.0040	9.361	5	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	123.3470	0.000	1	123.3470	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CNO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CNO)(H)	116.6990	0.000	1	116.6990	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	122.3695	0.499	2	122.3695	0.249	2	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CFeO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CFeO)(H)	121.9030	0.000	1	123.2017	2.063	6	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CFeO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CFeO)(H)	123.3430	0.000	1	123.2017	2.063	6	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CFeO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CFeO)(H)	123.4910	1.661	4	123.2017	2.063	6	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CIrC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CIrC)(H)	122.1660	0.000	1	122.1660	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	116.2060	0.020	2	116.4373	0.161	3	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	116.9000	0.000	1	116.4373	0.161	3	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	117.2870	0.000	1	117.2870	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	118.3760	0.000	1	118.3760	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCH)(H)	120.7840	0.000	1	120.7840	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	123.4095	0.285	2	123.4095	0.081	2	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[5]O)(H)	123.5410	0.000	1	123.5410	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	121.4465	0.127	2	123.1080	8.290	3	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<5>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	126.4310	0.000	1	123.1080	8.290	3	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(CCN)(H)	115.0940	0.000	1	115.0940	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6]O)(H)	120.0900	0.000	1	120.0900	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]Ru)(H)	124.0860	0.000	1	124.0860	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	123.8140	0.000	1	120.7529	8.342	7	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCO)(H)	120.2427	2.797	6	120.7529	8.342	7	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]N)(H)	117.1770	0.000	1	117.1770	0.000	1	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CNS)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CNS)(H)	118.9382	1.911	4	118.9382	3.652	4	120.4894	9.622	53	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ag)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ag<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	116.5312	0.974	8	116.5312	0.948	8	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	116.3375	1.479	2	117.1432	2.068	4	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.9490	1.192	2	117.1432	2.068	4	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	116.5985	0.612	2	116.5985	0.374	2	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6]N[6]2)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6]N[6]2)(H)	116.7000	0.000	1	116.7000	0.000	1	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	116.7763	0.324	4	118.1885	2.027	27	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.1402	1.644	13	118.1885	2.027	27	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.9892	0.716	8	118.1885	2.027	27	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.1240	1.792	2	118.1885	2.027	27	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>}	N(C[6]C[6]N[6])2(H)	116.1280	0.000	1	116.1280	0.000	1	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.0275	0.337	2	117.0275	0.114	2	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])2(H)	117.2950	0.000	1	117.2286	0.216	38	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	116.5870	0.385	2	117.2286	0.216	38	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.2829	0.569	8	117.2286	0.216	38	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.2107	0.533	12	117.2286	0.216	38	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.2952	0.332	15	117.2286	0.216	38	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)	117.7500	0.000	1	117.7500	0.000	1	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])2(H)	117.1902	0.293	6	117.0496	0.273	24	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	116.8800	0.373	5	117.0496	0.273	24	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.0499	0.648	13	117.0496	0.273	24	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	116.3125	0.110	2	116.3125	0.012	2	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.5907	0.497	10	117.4977	0.260	12	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.0325	0.334	2	117.4977	0.260	12	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.2110	0.328	2	117.9932	0.568	14	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.6515	0.752	2	117.9932	0.568	14	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.0180	0.841	10	117.9932	0.568	14	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6]N[6]2)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6]N[6]2)(H)	117.3150	0.066	2	117.3150	0.004	2	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.5321	1.281	16	118.5321	1.641	16	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.3333	1.020	14	118.3401	1.057	17	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.3717	1.299	3	118.3401	1.057	17	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	116.3890	0.786	2	116.3890	0.618	2	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.7580	1.828	7	118.6852	2.352	10	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.8900	0.393	2	118.6852	2.352	10	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.7660	0.000	1	118.6852	2.352	10	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.3876	0.548	8	117.3537	0.622	14	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	116.7620	0.095	2	117.3537	0.622	14	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	116.9885	0.313	2	117.3537	0.622	14	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.1750	1.885	2	117.3537	0.622	14	117.6326	1.244	197	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	123.4813	0.880	4	123.4813	0.774	4	121.8030	3.060	31	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	122.1345	1.269	4	122.6780	1.686	6	121.8030	3.060	31	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	123.7650	0.231	2	122.6780	1.686	6	121.8030	3.060	31	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	118.8200	0.000	1	118.8200	0.000	1	121.8030	3.060	31	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	123.7940	0.000	1	123.7940	0.000	1	121.8030	3.060	31	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	121.8034	0.853	12	121.8034	0.728	12	121.8030	3.060	31	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	119.4760	0.819	4	119.4760	0.670	4	121.8030	3.060	31	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	117.6220	0.000	1	117.6220	0.000	1	121.8030	3.060	31	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6]Ta)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ta<9>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	123.0600	0.048	2	123.0600	0.002	2	121.8030	3.060	31	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NCaC)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ca<8>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NCaC)(H)	118.5630	0.252	2	118.5630	0.063	2	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NCdC)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NCdC)(H)	119.5610	0.123	2	119.5610	0.015	2	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NCuC)(H)	121.2640	0.887	2	121.2640	0.786	2	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NFeC)(H)	121.0600	0.267	4	121.0600	0.071	4	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NMnC)(H)	119.6680	0.000	1	119.5735	0.010	4	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NMnC)(H)	119.5420	0.097	3	119.5735	0.010	4	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NNiC)(H)	120.6588	0.470	12	120.6588	0.221	12	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NPdC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>}	N(C[6]C[6]N[6])(NPdC)(H)	121.0740	0.000	1	121.1764	0.112	5	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NPdC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NPdC)(H)	121.2020	0.380	4	121.1764	0.112	5	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NReC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NReC)(H)	120.6287	0.490	4	120.6287	0.240	4	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NSnC)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Sn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NSnC)(H)	120.0520	0.000	1	120.0520	0.000	1	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NZnC)(H)	120.6185	0.407	2	120.0637	0.888	4	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NZnC)(H)	119.5090	1.126	2	120.0637	0.888	4	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]N[6]N)2(H){2|Zn<6>,1|C<3>}	N(C[6]C[6]N[6])(NZnC)(H)	120.7220	0.000	1	120.7220	0.000	1	120.4547	0.652	41	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2)(H)	122.9650	0.000	1	122.9650	0.000	1	121.7783	2.535	6	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCC)(H)	120.4630	0.000	1	120.4630	0.000	1	121.7783	2.535	6	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2)(H)	119.2440	0.000	1	119.2440	0.000	1	121.7783	2.535	6	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(POO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(POO)(H)	122.6660	0.613	3	122.6660	0.376	3	121.7783	2.535	6	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	123.4250	0.851	2	123.4250	0.725	2	124.1197	1.226	4	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	124.1000	0.000	1	124.1000	0.000	1	124.1197	1.226	4	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	125.5290	0.000	1	125.5290	0.000	1	124.1197	1.226	4	120.4472	12.377	977	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[6a]O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CC[6a]O)2	115.1295	0.121	2	115.1295	0.015	2	115.6395	0.646	6	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCO)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CCO)2	116.6420	0.020	2	116.6420	0.000	2	115.6395	0.646	6	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[6a]O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	N(C[6]C[6]2)(CC[6a]O)2	115.1470	0.444	2	115.1470	0.197	2	115.6395	0.646	6	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	116.3070	0.000	1	116.3070	0.000	1	116.3070	0.000	1	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCC)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	N(C[6]C[6]2)(CC[6a]O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCC){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CC[6a]O)2	123.9855	0.441	2	123.9855	0.194	2	123.9855	0.194	2	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCC)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	N(C[6]C[6]2)(CCO)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCC){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CCO)2	122.0165	0.605	2	122.0165	0.366	2	122.0165	0.366	2	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	122.4220	0.000	1	122.4220	0.000	1	122.4220	0.000	1	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CC[6a]O)2	123.0455	0.408	2	123.0455	0.166	2	122.9553	0.108	3	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	122.7750	0.000	1	122.7750	0.000	1	122.9553	0.108	3	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)2(NC[6]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])2(C[6]C[6]2)	C[6](C[6]C[6]H)2(NC[6]2){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,2|H<1>}	N(C[6]C[6]N[6])2(C[6]C[6]2)	120.4550	0.000	2	120.4550	0.000	2	120.4550	0.000	2	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	122.0400	0.000	1	122.0400	0.000	1	122.0400	0.000	1	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(NC[6a]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC[6a]2){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	123.0190	0.000	1	123.0190	0.000	1	121.5444	0.541	9	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(NC[6a]2){1|Ag<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<4>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	121.4770	0.000	1	121.4770	0.000	1	121.5444	0.541	9	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(NC[6a]2){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	121.4110	0.458	4	121.3378	0.373	6	121.5444	0.541	9	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(NC[6a]2){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	121.9560	0.000	1	121.3378	0.373	6	121.5444	0.541	9	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(NC[6a]2){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	120.4270	0.000	1	121.3378	0.373	6	121.5444	0.541	9	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(NC[6a]2){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	121.3770	0.000	1	121.3770	0.000	1	121.5444	0.541	9	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(NC[6a]2)	C[6](N[6]C[6]Ir)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC[6a]2){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	122.4380	0.000	1	122.4380	0.000	1	122.4380	0.000	1	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](NC[6a]C[6])(C[6]C[6]H)2	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)2	C[6](NC[6a]C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)2	121.5330	1.375	4	121.5330	1.889	4	121.5330	1.889	4	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	120.5780	1.293	8	120.5780	1.672	8	120.0294	1.610	98	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](NC[6a]C[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6](NC[6a]C[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	120.4587	1.042	44	120.4587	1.086	44	120.0294	1.610	98	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](NC[6a]C[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6](NC[6a]C[6])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	119.3275	0.118	2	119.3275	0.014	2	120.0294	1.610	98	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](NC[6a]C[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6](NC[6a]C[6])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	118.8075	0.192	4	118.8075	0.037	4	120.0294	1.610	98	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](NC[6a]C[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6](NC[6a]C[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	118.9112	1.232	4	118.4752	0.376	20	120.0294	1.610	98	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](NC[6a]C[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6](NC[6a]C[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	118.3661	0.331	16	118.4752	0.376	20	120.0294	1.610	98	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	120.8255	0.791	14	120.8255	0.625	14	120.0294	1.610	98	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	119.5130	0.376	2	119.8478	0.275	4	120.0294	1.610	98	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	120.1825	0.484	2	119.8478	0.275	4	120.0294	1.610	98	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	121.8690	0.024	2	121.8690	0.001	2	120.0294	1.610	98	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	121.1985	0.165	2	121.1985	0.027	2	121.1950	0.462	10	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](NC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6](NC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	121.1585	0.209	2	121.1585	0.044	2	121.1950	0.462	10	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	120.9880	1.001	4	120.9880	1.001	4	121.1950	0.462	10	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	121.6420	0.711	2	121.6420	0.506	2	121.1950	0.462	10	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CCO)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CCO)	120.5186	0.728	16	120.5186	0.530	16	120.5186	0.530	16	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])3	119.7540	0.703	2	119.7540	0.494	2	120.1460	0.370	4	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(C[6]C[6]2)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6]C[6]2)	120.5380	0.000	2	120.5380	0.000	2	120.1460	0.370	4	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C-3:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CRhO)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6a]C){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<8>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CRhO)	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Pt<4>,2|C<3>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	118.3530	0.000	1	118.3530	0.000	1	118.5500	0.476	5	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	117.6320	0.000	1	118.5992	0.619	4	118.5500	0.476	5	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	118.9217	0.552	3	118.5992	0.619	4	118.5500	0.476	5	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	122.4895	0.441	2	121.9587	0.393	6	121.6020	0.560	12	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	121.3795	0.521	2	121.9587	0.393	6	121.6020	0.560	12	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	122.0070	0.512	2	121.9587	0.393	6	121.6020	0.560	12	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)	121.2453	0.730	6	121.2453	0.533	6	121.6020	0.560	12	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-3:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NPdC)(CCO)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NPdC)(CCO)	122.9160	0.065	2	122.9160	0.004	2	122.9160	0.004	2	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6a]-3:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	121.3865	0.060	2	121.3865	0.004	2	121.3865	0.004	2	120.3230	2.755	184	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC[5a]O)(CH3)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[5a]O)(CH3)	120.9840	2.557	2	120.9840	6.538	2	120.9840	6.538	2	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	123.5060	0.376	2	123.5060	0.142	2	123.5060	0.142	2	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)2(NC[6a]S)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(SCOO)	C[6](C[6]C[6]H)2(NC[6a]S){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(SCOO)	116.7740	0.000	1	116.7740	0.000	1	119.1215	11.022	2	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)2(NC[6a]S)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(SCOO)	C[6](C[6]C[6]H)2(NC[6a]S){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(SCOO)	121.4690	0.000	1	121.4690	0.000	1	119.1215	11.022	2	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:Si-4:	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(SiBr3)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si){2|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(SiBr3)	115.3740	0.000	1	115.3740	0.000	1	115.3740	0.000	1	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	117.7555	0.012	2	117.7555	0.000	2	117.7555	0.000	2	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(NC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(NC[6a]C){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	125.6600	0.000	1	125.6600	0.000	1	125.6600	0.000	1	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:P-4:	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]P)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(PCCW)	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]P){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<7>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(PCCW)	122.6715	0.585	2	122.6715	0.342	2	122.6715	0.342	2	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	122.0070	0.000	1	122.0070	0.000	1	122.8915	1.565	2	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CH3)	123.7760	0.000	1	123.7760	0.000	1	122.8915	1.565	2	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	119.4357	0.657	4	119.4357	0.432	4	120.3724	1.341	42	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	118.8293	0.571	4	119.3484	0.519	8	120.3724	1.341	42	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	119.8675	0.407	4	119.3484	0.519	8	120.3724	1.341	42	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	121.5455	0.979	4	120.4294	0.878	16	120.3724	1.341	42	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	120.0648	0.448	6	120.4294	0.878	16	120.3724	1.341	42	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	119.6202	0.287	4	120.4294	0.878	16	120.3724	1.341	42	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	120.9090	0.436	2	120.4294	0.878	16	120.3724	1.341	42	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	121.0410	0.448	2	120.0240	1.460	4	120.3724	1.341	42	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	119.0070	0.202	2	120.0240	1.460	4	120.3724	1.341	42	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CCHH)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CCHH)	121.1890	1.105	2	121.1890	1.220	2	120.3724	1.341	42	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CC[6a]HH)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CC[6a]HH)	121.7210	0.652	8	121.7210	0.425	8	120.3724	1.341	42	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	120.2480	0.000	1	120.2480	0.000	1	120.4720	0.112	5	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	120.8165	0.144	2	120.8165	0.021	2	120.4720	0.112	5	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CCCH)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]C){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CCCH)	120.2395	0.176	2	120.2395	0.031	2	120.4720	0.112	5	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NCN)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NCoC)(CH3)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NCN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Co<7>,2|C<3>}	N(C[6]C[6]N[6])(NCoC)(CH3)	122.5090	0.209	4	122.5090	0.044	4	122.3800	0.826	11	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NC[6]C)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCN){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NC[6]C)(CH3)	120.9140	0.000	1	120.9140	0.000	1	122.3800	0.826	11	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NIrC)(CH3)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NIrC)(CH3)	122.1530	0.000	1	122.1530	0.000	1	122.3800	0.826	11	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCN)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(NMnC)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCN){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]N)2(H){1|Mn<5>,1|C<3>}	N(C[6]C[6]N[6])(NMnC)(CH3)	122.1700	0.000	1	122.1700	0.000	1	122.3800	0.826	11	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCN)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(NPdC)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCN){1|C<4>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|Pd<4>,1|Zn<5>,1|C<3>}	N(C[6]C[6]N[6])(NPdC)(CH3)	120.8210	0.000	1	120.8210	0.000	1	122.3800	0.826	11	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCN)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(NZnC)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCN){1|C<4>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|Pd<4>,1|Zn<5>,1|C<3>}	N(C[6]C[6]N[6])(NZnC)(CH3)	122.8240	0.000	1	122.8240	0.000	1	122.3800	0.826	11	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]N[6]Re)(C[6]C[6]H)(NCN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NReC)(CH3)	C[6](N[6]N[6]Re)(C[6]C[6]H)(NCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|N<2>}	N(C[6]C[6]N[6])(NReC)(CH3)	123.4600	0.000	1	123.6310	0.058	2	122.3800	0.826	11	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]N[6]Re)(C[6]C[6]H)(NCN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NReC)(CH3)	C[6](N[6]N[6]Re)(C[6]C[6]H)(NCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<4>,1|N<2>}	N(C[6]C[6]N[6])(NReC)(CH3)	123.8020	0.000	1	123.6310	0.058	2	122.3800	0.826	11	120.8205	3.192	72	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	N(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(CCHH)(H)	121.9690	0.374	4	121.9690	0.140	4	121.9690	0.140	4	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[3x6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H)	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H)	N(C[6]C[6,6a]C[6])(C[3x6]C[6,6]3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(C[3x6]C[6,6]3)(H)	124.3660	0.000	1	124.3660	0.000	1	124.3660	0.000	1	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CCHH)(H)	110.8650	0.485	2	110.8650	0.235	2	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[5a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CC[5a]HH)(H)	111.4400	0.000	1	111.4400	0.000	1	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CC[6a]HH)(H)	115.3630	6.985	2	115.3630	48.787	2	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N(C[6]C[6]2)(CH3)(H)	110.3300	0.000	1	110.3300	0.000	1	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CCHH)(H)	110.7590	0.315	2	110.7590	0.099	2	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[5a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CC[5a]HH)(H)	111.0080	0.000	1	111.0080	0.000	1	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CC[6a]HH)(H)	110.7595	0.370	2	110.7595	0.137	2	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N(C[6]C[6]2)(CH3)(H)	111.1730	0.000	1	111.1730	0.000	1	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6]C[6]2)(CCHH)(H)	113.0990	0.000	1	114.0552	0.894	6	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	N(C[6]C[6]2)(CCHH)(H)	113.8918	0.534	4	114.0552	0.894	6	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|O<2>,3|C<3>}	N(C[6]C[6]2)(CCHH)(H)	115.6650	0.000	1	114.0552	0.894	6	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[5]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	N(C[6]C[6]2)(CC[5]HH)(H)	113.9870	0.000	1	113.9870	0.000	1	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	N(C[6]C[6]2)(CC[6a]HH)(H)	114.3370	0.157	2	114.3370	0.025	2	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|N<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2)(CH3)(H)	114.6550	0.000	1	114.6550	0.000	1	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	N(C[6]C[6]2)(CCHH)(H)	112.1470	0.635	2	112.1470	0.403	2	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	N(C[6]C[6]2)(CH3)(H)	111.7230	0.000	1	111.7230	0.000	1	112.6843	5.248	25	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CCHH)(H)	131.5120	0.324	2	131.5120	0.105	2	130.0655	12.496	6	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	N(C[6]C[6]2)(CC[5a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CC[5a]HH)(H)	131.1070	0.000	1	131.1070	0.000	1	130.0655	12.496	6	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CC[6a]HH)(H)	127.3965	6.394	2	127.3965	40.888	2	130.0655	12.496	6	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CH3)(H)	131.4690	0.000	1	131.4690	0.000	1	130.0655	12.496	6	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CCHH)(H)	131.0330	0.436	2	131.0330	0.190	2	130.8675	0.389	6	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	N(C[6]C[6]2)(CC[5a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CC[5a]HH)(H)	130.8190	0.000	1	130.8190	0.000	1	130.8675	0.389	6	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CC[6a]HH)(H)	130.9085	1.249	2	130.9085	1.561	2	130.8675	0.389	6	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CH3)(H)	130.5030	0.000	1	130.5030	0.000	1	130.8675	0.389	6	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CCHH)(H)	125.5888	0.873	5	125.3943	0.836	6	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CCHH)(H)	124.4220	0.000	1	125.3943	0.836	6	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[5]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CC[5]HH)(H)	125.3170	0.000	1	125.3170	0.000	1	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CC[6a]HH)(H)	125.1260	0.154	2	125.1260	0.024	2	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CH3)(H)	124.9460	0.000	1	124.9460	0.000	1	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CC3)(H)	126.2120	0.000	1	126.2120	0.000	1	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	N(C[6]C[6]2)(CCHH)(H)	126.5680	0.000	1	126.1630	0.180	3	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]2)(CCHH)(H)	125.9605	0.337	2	126.1630	0.180	3	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	N(C[6]C[6]2)(CH3)(H)	127.6495	0.810	2	127.6495	0.656	2	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	N(C[6]C[6]2)(CCCH)(H)	127.4020	0.000	1	126.2253	1.056	3	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	N(C[6]C[6]2)(CCCH)(H)	125.6370	0.185	2	126.2253	1.056	3	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	N(C[6]C[6]2)(CCHH)(H)	125.4430	0.318	2	125.1684	0.752	31	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	N(C[6]C[6]2)(CCHH)(H)	125.6690	0.725	2	125.1684	0.752	31	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	N(C[6]C[6]2)(CCHH)(H)	125.9430	1.107	5	125.1684	0.752	31	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	N(C[6]C[6]2)(CCHH)(H)	124.8135	0.864	16	125.1684	0.752	31	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	N(C[6]C[6]2)(CCHH)(H)	125.2108	0.174	6	125.1684	0.752	31	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	N(C[6]C[6]2)(CC[6a]CH)(H)	125.4190	0.349	2	125.4190	0.122	2	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	125.0162	0.768	4	125.0162	0.591	4	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	N(C[6]C[6]2)(CH3)(H)	124.6080	0.450	2	124.6080	0.202	2	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	120.8195	0.252	2	121.0176	0.092	5	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	121.1497	0.294	3	121.0176	0.092	5	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CHHP)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Ag<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CHHP)(H)	120.5770	0.000	1	120.5770	0.000	1	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CHPP)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CHPP)(H)	122.8540	2.434	2	122.8540	5.924	2	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6]C[6]2)(CCHH)(H)	116.2580	0.000	1	116.2580	0.000	1	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6]C[6]2)(CCHH)(H)	123.8220	0.000	1	123.8220	0.000	1	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CCHH)(H)	121.6608	1.904	4	121.6608	3.626	4	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC[5]HH)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CC[5]HH)(H)	121.9065	3.466	2	121.9065	12.010	2	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	121.6425	2.268	2	121.6425	5.142	2	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CH3)(H)	121.1075	0.612	2	121.1075	0.374	2	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CHPP)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(CHPP)(H)	124.5260	0.000	1	124.5260	0.000	1	124.3523	4.653	79	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(CC3)(O)	C[6](C[6]C[6]H)2(NCO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC3)(O)	122.8400	0.000	1	122.8400	0.000	1	121.0517	9.654	12	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC3)(O)	C[6](C[6]C[6]H)2(NCO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC3)(O)	122.9320	0.000	1	121.0977	10.880	10	121.0517	9.654	12	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC3)(O)	C[6](C[6]C[6]H)2(NCO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC3)(O)	117.6080	0.000	1	121.0977	10.880	10	121.0517	9.654	12	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC3)(O)	C[6](C[6]C[6]H)2(NCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC3)(O)	121.3672	3.785	4	121.0977	10.880	10	121.0517	9.654	12	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CC3)(O)	C[6](C[6]C[6]H)2(NCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CC3)(O)	121.2420	3.607	4	121.0977	10.880	10	121.0517	9.654	12	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC3)(O)	C[6](C[6]C[6]H)2(NCO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(CC3)(O)	118.8030	0.000	1	118.8030	0.000	1	121.0517	9.654	12	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(PNNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(PNNO)(H)	119.0547	1.504	8	118.9214	2.425	16	119.2210	3.000	18	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(PNNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(PNNO)(H)	118.7881	1.701	8	118.9214	2.425	16	119.2210	3.000	18	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](C[6]C[6]H)2(NHP)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(PC[6a]2O)(H)	C[6](C[6]C[6]H)2(NHP){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(PC[6a]2O)(H)	121.6175	1.306	2	121.6175	1.706	2	119.2210	3.000	18	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:H-1:	C[6](C[6]C[6]H)2(NHS)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(SC[6a]OO)(H)	C[6](C[6]C[6]H)2(NHS){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(SC[6a]OO)(H)	120.6898	3.351	12	120.6898	11.229	12	120.6898	11.229	12	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N(C[6]C[6]2)(CCHH)(H)	112.1450	0.000	1	112.1450	0.000	1	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC3)(H)	113.3230	0.000	1	113.3230	0.000	1	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CCHH)(H)	112.8220	0.414	2	112.9071	0.150	8	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CCHH)(H)	112.9355	0.415	6	112.9071	0.150	8	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CCCH)(H)	112.9015	0.388	2	113.0143	0.114	3	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(CCCH)(H)	113.2400	0.000	1	113.0143	0.114	3	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CCHH)(H)	113.3095	0.489	2	113.5811	0.637	26	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CCHH)(H)	113.6380	0.870	16	113.5811	0.637	26	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(CCHH)(H)	113.2994	0.806	5	113.5811	0.637	26	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CCHH)(H)	114.6480	0.000	1	113.5811	0.637	26	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(CCHH)(H)	113.5685	0.069	2	113.5811	0.637	26	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CC[6a]CH)(H)	113.2485	0.105	2	113.2485	0.011	2	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	113.6787	0.661	4	113.6787	0.437	4	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(CH3)(H)	114.3735	0.489	2	113.9920	0.346	4	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CH3)(H)	113.6105	0.466	2	113.9920	0.346	4	113.4297	0.544	49	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C-4:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	N(C[6]C[6]2)(CHPP)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CHPP)(H)	119.3750	0.000	1	119.3750	0.000	1	119.3750	0.000	1	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	122.5890	0.479	2	122.5890	0.230	2	121.2927	5.760	4	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(CHPP)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CHPP)(H)	119.9965	3.214	2	119.9965	10.329	2	121.2927	5.760	4	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Ag)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CHHP)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Ag<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CHHP)(H)	121.9560	0.000	1	121.9560	0.000	1	122.2630	0.144	4	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Cu)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	122.3653	0.392	3	122.3653	0.154	3	122.2630	0.144	4	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP)	C[6](N[6]C[6]Cd)(C[6]C[6]N)(H)	N(C[6]C[6]2)(PNNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(PNNO)(H)	122.7399	1.770	8	122.7399	3.133	8	122.7446	2.077	16	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	N(C[6]C[6]2)(PNNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(PNNO)(H)	122.7494	1.148	8	122.7494	1.317	8	122.7446	2.077	16	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:B-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	124.1240	0.465	2	124.1240	0.216	2	124.2122	0.074	5	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:B-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(BC[6a]2H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(BC[6a]2H)(H)	124.3340	0.000	1	124.3340	0.000	1	124.2122	0.074	5	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:B-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(BC[6a]3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(BC[6a]3)(H)	124.2395	0.217	2	124.2395	0.047	2	124.2122	0.074	5	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(CCHH)(H)	123.5540	0.000	1	123.5540	0.000	1	122.8985	5.403	21	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CCHH)(H)	121.5420	0.000	1	121.5420	0.000	1	122.8985	5.403	21	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6]HH)(H)	122.2743	1.050	7	122.2743	1.102	7	122.8985	5.403	21	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)(H)	121.4610	2.151	5	121.4610	4.627	5	122.8985	5.403	21	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]HN)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]HN)(H)	119.4740	0.000	1	119.4740	0.000	1	122.8985	5.403	21	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]HP)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6a]HP)(H)	125.5180	0.000	1	125.5180	0.000	1	122.8985	5.403	21	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CH3)(H)	124.6885	0.083	2	124.6885	0.007	2	122.8985	5.403	21	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CHPP)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CHPP)(H)	126.8480	0.000	1	126.0597	6.310	3	122.8985	5.403	21	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CHPP)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(CHPP)(H)	125.6655	3.419	2	126.0597	6.310	3	122.8985	5.403	21	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCCS)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(PCCS)(H)	121.3180	0.450	2	121.3180	0.202	2	120.6220	0.714	4	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]W)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCCW)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<6>}	N(C[6]C[6]N[6])(PCCW)(H)	119.9260	0.028	2	119.9260	0.001	2	120.6220	0.714	4	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SC[6a]OO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)(H)	126.3690	0.982	4	125.3068	7.414	6	125.3068	7.414	6	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SC[6a]OO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)(H)	123.1825	4.543	2	125.3068	7.414	6	125.3068	7.414	6	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Si-4:H-1:	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(NSiH)	C[6](C[6]N[5,6]N)(C[6]C[6]H)(H)	N(C[6]N[5,6]C[6])(SiC[5]CC)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(NSiH){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[5,6]N)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6]N[5,6]C[6])(SiC[5]CC)(H)	122.3490	0.000	1	122.3490	0.000	1	122.3490	0.000	1	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:B-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	122.3360	0.000	1	122.3360	0.000	1	122.3075	0.002	2	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:B-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(BC[6a]3)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]N[6])(BC[6a]3)(H)	122.2790	0.000	1	122.2790	0.000	1	122.3075	0.002	2	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]3)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]3)(H)	123.6390	0.328	2	123.6390	0.108	2	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCHH)(H)	123.4380	0.000	1	123.4380	0.000	1	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]3)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]3)(H)	123.8320	0.301	2	123.8320	0.091	2	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC3)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC3)(H)	124.4280	0.000	1	124.4280	0.000	1	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCHH)(H)	123.0787	1.263	4	123.0787	1.595	4	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CHHP)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CHHP)(H)	119.3900	0.327	2	119.3900	0.107	2	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCHH)(H)	122.1407	1.022	3	122.1407	1.045	3	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CH3)(H)	119.0200	0.000	1	119.0200	0.000	1	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)(H)	122.2150	0.752	2	122.2150	0.566	2	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]IrH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]IrH)(H)	123.7920	0.000	1	123.7920	0.000	1	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CH3)(H)	122.8370	0.656	2	122.8370	0.431	2	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CHHP)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CHHP)(H)	119.4143	2.770	3	119.4143	7.672	3	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CH3)(H)	120.9405	0.158	2	120.9405	0.025	2	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CH3)(H)	120.6605	0.001	2	120.6605	0.000	2	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCHH)(H)	122.9780	0.000	1	122.9780	0.000	1	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CH3)(H)	119.7035	0.629	2	120.8335	2.047	4	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CH3)(H)	121.9635	0.800	2	120.8335	2.047	4	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCHH)(H)	123.1672	0.720	6	123.1672	0.518	6	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]3)(H)	123.3770	0.327	2	123.3770	0.107	2	122.1160	3.202	41	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-4:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NReCH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|Re<6>,1|C<3>}	N(C[6]C[6]N[6])(NReCH)(H)	120.7740	0.000	1	120.7740	0.000	1	120.7740	0.000	1	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(NHP){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Ni<4>,2|C<3>}	N(C[6]C[6]N[6])(PNiCC)(H)	124.1710	0.000	1	124.1710	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCCO)(H)	122.9070	0.000	1	122.9070	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Co)(H)	122.7960	0.175	2	122.7960	0.031	2	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2O)(H)	120.1110	0.000	1	120.1110	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2S)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2S)(H)	122.8230	0.000	1	122.8230	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCoCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCoCC)(H)	121.9840	0.298	4	121.8552	2.253	10	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCoCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCoCC)(H)	121.7693	1.995	6	121.8552	2.253	10	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCrCC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCrCC)(H)	121.3960	0.000	1	121.3913	0.000	3	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCrCC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCrCC)(H)	121.3890	0.014	2	121.3913	0.000	3	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCCS)(H)	118.9650	0.102	3	118.9650	0.010	3	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Cu)(H)	122.6277	1.613	3	122.6277	2.601	3	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCuCC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCuCC)(H)	120.6590	0.093	2	120.6590	0.009	2	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PSeCC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PSeCC)(H)	119.3190	0.000	1	119.3190	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCCO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCCO)(H)	118.5055	0.551	2	118.5055	0.303	2	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCCS)(H)	118.4050	0.000	1	118.4050	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Fe)(H)	121.3622	1.586	6	121.1778	1.562	13	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Fe)(H)	121.0197	0.981	7	121.1778	1.562	13	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PFeCC)(H)	120.2950	0.442	3	121.4718	1.325	32	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PFeCC)(H)	119.8822	0.270	6	121.4718	1.325	32	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PFeCC)(H)	122.2733	0.509	20	121.4718	1.325	32	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PFeCC)(H)	120.4843	0.400	3	121.4718	1.325	32	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PFeOO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PFeOO)(H)	121.8790	0.000	1	121.8790	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PSeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PSeCC)(H)	118.2130	0.000	1	118.2130	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|Cl<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>}	N(C[6]C[6]N[6])(PFeCC)(H)	120.9175	0.166	2	121.4113	0.745	3	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|Cl<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>}	N(C[6]C[6]N[6])(PFeCC)(H)	122.3990	0.000	1	121.4113	0.745	3	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PIrCC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PIrCC)(H)	122.8620	0.000	1	122.8620	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PMoCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PMoCC)(H)	120.2017	0.477	3	120.2358	0.095	6	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PMoCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PMoCC)(H)	120.2700	0.079	3	120.2358	0.095	6	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[5]2Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[5]2Ni)(H)	122.1100	0.000	1	122.1100	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6]2Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6]2Ni)(H)	123.4690	0.000	1	123.4690	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Ni)(H)	122.8850	1.628	2	122.8850	2.650	2	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PNOO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PNOO)(H)	119.7790	1.708	2	119.7790	2.919	2	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PNiCC)(H)	122.6110	0.000	1	120.9368	2.816	4	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PNiCC)(H)	122.1480	0.000	1	120.9368	2.816	4	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,2|C<4>}	N(C[6]C[6]N[6])(PNiCC)(H)	119.4940	0.117	2	120.9368	2.816	4	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCCS)(H)	117.9280	0.000	1	117.9280	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2O)(H)	122.4480	0.387	2	122.4480	0.150	2	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Pd)(H)	120.8075	0.189	2	120.8075	0.036	2	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PPdCC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PPdCC)(H)	120.4243	0.702	3	120.4243	0.493	3	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PPdOO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PPdOO)(H)	122.3565	0.787	4	122.3565	0.619	4	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Pt)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Pt)(H)	121.1770	0.000	1	121.1770	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PPtCC)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PPtCC)(H)	120.7420	0.000	1	120.7420	0.000	1	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PReCC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PReCC)(H)	122.5035	0.497	2	122.5035	0.247	2	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PRhCC)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PRhCC)(H)	121.9090	0.000	1	121.8483	0.255	7	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PRhCC)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PRhCC)(H)	121.8382	0.552	6	121.8483	0.255	7	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Ru)(H)	121.5825	1.333	2	121.7672	0.636	6	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Ru)(H)	122.0855	0.715	2	121.7672	0.636	6	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Ru)(H)	121.6335	0.766	2	121.7672	0.636	6	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PRuCC)(H)	121.3500	0.000	1	122.6480	3.375	3	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PRuCC)(H)	121.8440	0.000	1	122.6480	3.375	3	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PRuCC)(H)	124.7500	0.000	1	122.6480	3.375	3	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PRuOO)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PRuOO)(H)	122.8245	2.094	2	122.8245	4.384	2	121.3941	2.030	132	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Si-4:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NSiH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NSiH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(SiC3)(H)	120.3010	0.000	1	120.3010	0.000	1	121.6507	0.577	7	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Si-4:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(SiC3)(H)	121.8993	0.337	3	122.0865	0.216	4	121.6507	0.577	7	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Si-4:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(SiC3)(H)	122.6480	0.000	1	122.0865	0.216	4	121.6507	0.577	7	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Si-4:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NSiH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SiC[6a]2Mo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NSiH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<9>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(SiC[6a]2Mo)(H)	121.4540	0.396	2	121.4540	0.157	2	121.6507	0.577	7	120.9793	18.435	457	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:2:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)(NC)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CH3)(NC)	124.4910	0.360	3	124.4910	0.130	3	124.4910	0.130	3	125.1542	0.948	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC3)(OAl)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(CC3)(OAl)	126.7670	0.000	1	126.6185	0.044	2	125.3532	1.044	10	125.1542	0.948	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC3)(OAl)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC3)(OAl)	126.4700	0.000	1	126.6185	0.044	2	125.3532	1.044	10	125.1542	0.948	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCO)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC3)(ONi)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,2|C<3>}	N(C[6]C[6]N[6])(CC3)(ONi)	124.5787	1.048	4	125.0369	0.765	8	125.3532	1.044	10	125.1542	0.948	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCO)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC3)(ONi)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC3)(ONi)	125.4950	0.354	4	125.0369	0.765	8	125.3532	1.044	10	125.1542	0.948	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)2(NCN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)(NOO)	C[6](C[6]C[6]H)2(NCN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CH3)(NOO)	120.4340	2.527	2	120.3107	2.873	6	120.3107	2.873	6	120.9340	3.536	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)2(NCN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)(NOO)	C[6](C[6]C[6]H)2(NCN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CH3)(NOO)	120.2490	1.626	4	120.3107	2.873	6	120.3107	2.873	6	120.9340	3.536	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCHH)(CHN)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(CCHH)(CHN)	122.0760	0.000	1	122.0760	0.000	1	122.0760	0.000	1	120.9340	3.536	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-3:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCHH)(CIrC)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCHH)(CIrC)	123.5320	0.000	1	123.5320	0.000	1	123.5320	0.000	1	120.9340	3.536	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[5a,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H)	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	121.3730	0.000	1	121.3730	0.000	1	121.3730	0.000	1	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	N(C[6]C[6,6a]C[6])(CH3)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(NCC){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|N<2>}	N(C[6]C[6,6a]C[6])(CH3)2	119.6090	0.000	1	119.6090	0.000	1	119.6090	0.000	1	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC)	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC){1|N<3>,2|C<4>}	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]N)(H){1|B<4>,1|C<3>,3|H<1>}	N(C[6]C[6]2)(CH3)2	120.2610	0.000	1	120.2610	0.000	1	121.1770	1.678	2	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC)	C[6](C[4,6]N[4,6]Si[4])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC){1|Si<3>,1|H<1>,1|N<3>}	C[6](C[4,6]N[4,6]Si[4])(C[6]C[6]N)(H){2|Si<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.0930	0.000	1	122.0930	0.000	1	121.1770	1.678	2	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NCC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCHH)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NCC){1|C<3>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CCHH)2	121.3080	0.000	1	121.3080	0.000	1	121.8023	0.303	3	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]H)2(NCC)	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6,6]H)2(NCC){1|N<3>,2|N<4>}	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,4|C<4>}	N(C[6]C[6]2)(CH3)2	122.0495	0.490	2	122.0495	0.240	2	121.8023	0.303	3	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	N(C[6]C[6]2)(CH3)2	117.9555	0.258	2	117.9555	0.067	2	117.9555	0.067	2	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(Br)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CH3)2	126.0960	0.000	1	126.0960	0.000	1	126.0960	0.000	1	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(Cl)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CH3)2	126.2350	0.000	1	126.2350	0.000	1	126.2350	0.000	1	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC)	C[6](C[6]N[4,6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC){1|N<3>,2|C<4>}	C[6](C[6]N[4,6]C)(C[6]C[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1540	0.000	1	122.1540	0.000	1	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC)	C[6](C[6]N[4,6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC){1|Si<3>,1|H<1>,1|N<3>}	C[6](C[6]N[4,6]H)(C[6]C[6]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.0060	0.000	1	121.0060	0.000	1	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CH3)2	123.3420	0.124	2	123.3420	0.015	2	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	119.2470	0.000	1	119.2470	0.000	1	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	119.3210	0.000	1	119.3210	0.000	1	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(CCHH)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CCHH)(CH3)	123.0390	0.000	1	123.0390	0.000	1	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(CC[6a]HH)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]2)(CC[6a]HH)(CC[6]HH)	123.0095	0.415	2	123.0095	0.172	2	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)2(NCC){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CCHH)2	121.5165	0.095	4	120.8096	0.872	8	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(CCHH)2	120.1028	0.833	4	120.8096	0.872	8	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	120.9000	1.073	2	120.9000	1.152	2	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(CCHH)2	121.8912	0.774	4	121.8912	0.598	4	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.7013	0.398	3	121.7194	0.393	25	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.8200	0.000	1	121.7194	0.393	25	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1525	0.009	2	121.7194	0.393	25	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2460	0.629	2	121.7194	0.393	25	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.7410	0.000	1	121.7194	0.393	25	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.4950	0.000	1	121.7194	0.393	25	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.8215	1.214	2	121.7194	0.393	25	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.7440	0.966	3	121.7194	0.393	25	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.0593	0.414	4	121.7194	0.393	25	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<4>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.0015	0.402	2	121.7194	0.393	25	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<4>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.7280	0.770	4	121.7194	0.393	25	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CCHH)2	121.9600	0.171	2	121.9600	0.029	2	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.7265	0.788	13	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.3400	0.000	1	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	120.7670	0.416	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.0550	0.000	1	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.7475	0.301	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.8480	0.266	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.8270	0.000	1	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.3780	0.000	1	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CH3)2	117.3230	0.000	1	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ag<2>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1170	0.173	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.0700	0.414	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Al<3>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1640	0.408	4	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2558	0.791	4	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.7230	0.317	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|As<3>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.0303	0.638	6	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|As<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.0475	1.375	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Au<2>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.8653	0.872	4	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2839	0.660	8	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2252	0.517	52	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2955	0.466	20	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6]C[6]2)(CH3)2	122.3312	0.282	4	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<3>}	N(C[6]C[6]2)(CH3)2	122.0250	0.205	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(CH3)2	122.0400	0.061	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(CH3)2	121.7985	0.594	8	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6]C[6]2)(CH3)2	122.2642	0.483	16	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6]C[6]2)(CH3)2	122.1357	0.573	24	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6]C[6]2)(CH3)2	122.3140	0.387	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6]C[6]2)(CH3)2	121.6670	0.576	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<9>}	N(C[6]C[6]2)(CH3)2	122.2138	0.709	8	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CH3)2	121.9413	0.565	209	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2355	0.524	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.3875	0.473	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1196	0.588	10	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2870	0.424	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2520	0.542	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.3243	0.376	6	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2307	0.733	12	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2891	0.675	20	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.0760	0.648	6	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2678	0.422	6	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1675	0.692	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.0957	0.631	8	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1728	0.669	4	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(CH3)2	122.1528	0.653	35	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1860	1.216	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.3283	0.483	12	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.0485	0.064	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.0433	1.139	4	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2002	0.640	4	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.3210	0.639	8	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.3937	0.717	22	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1925	0.255	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<3>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2373	0.934	6	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.3558	0.308	4	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1375	0.939	44	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.5275	0.947	6	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1555	0.877	8	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.7598	1.050	16	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<8>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.5905	0.415	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.9922	0.489	4	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.4386	0.655	34	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.7140	1.015	4	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.3538	0.629	6	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<3>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1615	0.098	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1274	0.650	22	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.1400	0.417	4	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.7175	0.668	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Te<3>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.9690	0.448	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ti<10>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2220	0.490	4	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.5195	0.210	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.3793	0.256	7	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<14>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2705	0.199	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|Th<13>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Th<13>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.3880	0.000	1	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|Zr<12>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<12>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	121.1925	2.177	2	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|Zr<13>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<13>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	120.8640	0.000	1	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|Zr<13>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<13>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CH3)2	123.2990	0.000	1	122.1433	0.469	766	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(CCHH)2	121.0190	2.121	4	121.0190	4.498	4	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(CH3)2	122.7700	1.120	2	121.3692	1.783	6	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(CH3)2	120.6688	0.769	4	121.3692	1.783	6	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){1|Ni<5>,1|H<1>,1|O<2>,3|C<3>}	N(C[6]C[6]2)(CH3)2	121.2825	2.755	4	121.2825	7.589	4	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Ir<6>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CH3)2	121.8827	0.570	10	122.0089	0.309	16	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Pt<4>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CH3)2	122.4500	0.000	1	122.0089	0.309	16	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Cu<4>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CH3)2	122.6250	0.700	2	122.0089	0.309	16	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Cu<5>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(CH3)2	121.8717	0.150	3	122.0089	0.309	16	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]N[6]Th)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|Th<13>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Th)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.5560	0.000	1	122.5560	0.000	1	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]N[6]Zr)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|Zr<12>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Zr)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.2805	1.975	2	122.2087	1.966	3	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]N[6]Zr)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|Zr<13>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Zr)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.0650	0.000	1	122.2087	1.966	3	122.0950	0.573	850	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCHH)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CCHH)(CH3)	119.4160	0.000	1	119.4160	0.000	1	118.1732	2.213	5	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[6a]HH)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(CC[6a]HH)(CC[6]HH)	118.3505	0.964	2	118.3505	0.929	2	118.1732	2.213	5	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]N)2(O)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|N<3>}	N(C[6]C[6]2)(CH3)2	117.3745	2.245	2	117.3745	5.040	2	118.1732	2.213	5	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CH3)2	124.5745	0.387	2	124.5745	0.150	2	124.5745	0.150	2	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](C[6]C[6]H)(N[6]C[6]W)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCCW)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]W)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<7>}	N(C[6]C[6]N[6])(PCCW)(CH3)	122.3900	0.049	2	122.3900	0.002	2	122.6148	0.068	4	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](C[6]C[6]H)(N[6]C[6]W)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2W)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]W)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<7>}	N(C[6]C[6]N[6])(PC[6a]2W)(CH3)	122.8395	0.005	2	122.8395	0.000	2	122.6148	0.068	4	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCHH)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Cd<5>,2|C<3>}	N(C[6]C[6]N[6])(CCHH)2	118.8400	0.000	1	118.8400	0.000	1	120.5309	5.214	15	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Cd<6>,2|C<3>}	N(C[6]C[6]N[6])(CH3)2	119.2060	0.000	1	119.2060	0.000	1	120.5309	5.214	15	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Ni<6>,2|C<3>}	N(C[6]C[6]N[6])(CH3)2	120.5440	0.000	1	120.5440	0.000	1	120.5309	5.214	15	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CH3)2	122.4790	0.000	1	122.4790	0.000	1	120.5309	5.214	15	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]IrO)(CH3)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]IrO)(CH3)	122.4882	0.545	4	122.4882	0.297	4	120.5309	5.214	15	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CIrHH)(CH3)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CIrHH)(CH3)	124.2160	0.000	1	124.2160	0.000	1	120.5309	5.214	15	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CH3)2	121.5160	0.000	1	121.5160	0.000	1	120.5309	5.214	15	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC){2|C<3>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|Ge<2>,2|C<3>}	N(C[6]C[6]N[6])(CH3)2	118.3095	0.476	2	118.3095	0.226	2	120.5309	5.214	15	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|H<1>,2|C<3>,3|N<3>}	C[6](C[6]N[6]N)2(H){1|Si<4>,2|C<3>}	N(C[6]C[6]N[6])(CH3)2	118.2320	0.000	1	119.1660	1.745	2	120.5309	5.214	15	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|P<3>,2|C<3>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|Si<3>,2|C<3>}	N(C[6]C[6]N[6])(CH3)2	120.1000	0.000	1	119.1660	1.745	2	120.5309	5.214	15	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]Ge[6]H)(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]Ge[6]H)(C[6]C[6]H)(NCC){2|Cl<1>,2|N<3>}	C[6](C[6]N[6]N)2(H){2|Ge<4>,1|H<1>}	N(C[6]C[6]N[6])(CH3)2	116.2580	0.000	1	116.2580	0.000	1	120.5309	5.214	15	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Cu)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Cu)(CH3)	124.2260	0.134	2	124.2260	0.018	2	121.9410	1.114	37	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCuCC)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCuCC)(CH3)	122.8047	0.237	3	122.8047	0.056	3	121.9410	1.114	37	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Fe)(CH3)	120.8590	1.400	3	120.7463	1.358	4	121.9410	1.114	37	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Fe)(CH3)	120.4080	0.000	1	120.7463	1.358	4	121.9410	1.114	37	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PFeCC)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PFeCC)(CH3)	122.7810	0.211	2	122.4121	0.156	15	121.9410	1.114	37	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PFeCC)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PFeCC)(CH3)	122.2733	0.361	8	122.4121	0.156	15	121.9410	1.114	37	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PFeCC)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PFeCC)(CH3)	122.5720	0.459	4	122.4121	0.156	15	121.9410	1.114	37	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PFeCC)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PFeCC)(CH3)	122.1460	0.000	1	122.4121	0.156	15	121.9410	1.114	37	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PMoCC)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PMoCC)(CH3)	121.4052	0.213	10	121.1469	0.401	12	121.9410	1.114	37	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PMoCC)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PMoCC)(CH3)	119.8555	0.013	2	121.1469	0.401	12	121.9410	1.114	37	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2Pt)(CHHP)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2Pt)(CHHP)	122.0220	0.000	1	122.0220	0.000	1	121.9410	1.114	37	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Si-4:C-4:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SiRuCC)(CH3)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(SiRuCC)(CH3)	122.9931	0.168	7	122.6584	0.280	19	122.6584	0.280	19	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Si-4:C-4:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SiRuCC)(CH3)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(SiRuCC)(CH3)	122.2886	0.436	10	122.6584	0.280	19	122.6584	0.280	19	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Si-4:C-4:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SiRuCC)(CH3)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(SiRuCC)(CH3)	123.3355	0.299	2	122.6584	0.280	19	122.6584	0.280	19	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Si-4:Si-4:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSi2)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SiRuCC)(SiCCH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSi2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(SiRuCC)(SiCCH)	122.8310	0.897	2	122.8310	0.804	2	122.8310	0.804	2	122.0584	0.876	946	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:5:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-5:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2CuS)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2CuS)(H)	118.9360	0.000	1	118.9360	0.000	1	118.3460	0.696	2	118.3460	0.696	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:5:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-5:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2PdS)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2PdS)(H)	117.7560	0.000	1	117.7560	0.000	1	118.3460	0.696	2	118.3460	0.696	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:5:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Si-5:C-4:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SiRuCCH)(CH3)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(SiRuCCH)(CH3)	122.7115	0.179	2	122.7115	0.032	2	122.7115	0.032	2	122.7060	0.016	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	3:5:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Si-5:Si-4:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSi2)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SiRuCCH)(SiCCH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSi2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(SiRuCCH)(SiCCH)	122.6950	0.000	1	122.6950	0.000	1	122.6950	0.000	1	122.7060	0.016	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	110.5350	0.000	1	110.5350	0.000	1	111.6530	2.500	2	119.0039	47.770	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	112.7710	0.000	1	112.7710	0.000	1	111.6530	2.500	2	119.0039	47.770	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	131.6910	0.000	1	131.6910	0.000	1	131.6910	0.000	1	119.0039	47.770	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(F)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(F){1|C<3>,1|N<2>,1|O<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	129.5620	0.000	1	129.5620	0.000	1	129.5620	0.000	1	119.0039	47.770	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[5]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[5]C[5]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[5]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[5]C[5]2N)(C[6]C[6]2)(H)	116.8230	2.693	2	116.8230	7.250	2	116.8230	7.250	2	119.0039	47.770	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6]H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	128.0390	0.000	1	128.0390	0.000	1	121.3673	33.337	6	119.0039	47.770	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H)	C[6](C[6]C[6]N)2(H)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	125.6055	0.161	2	125.6055	0.026	2	121.3673	33.337	6	119.0039	47.770	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2N)(C[6]C[6]2)(H)	116.3180	2.206	3	116.3180	4.868	3	121.3673	33.337	6	119.0039	47.770	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H)	C[6](C[6]C[6]F)(C[6]C[6]N)(O)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]N)(O){1|C<3>,1|F<1>,1|N<2>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	112.9780	0.000	1	112.9780	0.000	1	112.7793	0.124	3	119.0039	47.770	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	112.6800	0.434	2	112.6800	0.188	2	112.7793	0.124	3	119.0039	47.770	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[5]C[5,6a]N[5]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]N[5]H)(C[6]C[6]N[6])(H)	119.3160	0.000	1	119.3160	0.000	1	119.3160	0.000	1	119.0039	47.770	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:4:	N[4,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	B[4]-4:C[6]-3:Si-4:	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(NB[4]Si)	C[6](C[6]N[4,6]N)(C[6]C[6]H)(H)	N(B[4]N[4,6]N[4]Cl)(C[6]N[4,6]C[6])(SiC3)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(NB[4]Si){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[4,6]N)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N(B[4]N[4,6]N[4]Cl)(C[6]N[4,6]C[6])(SiC3)	124.8207	0.203	3	124.8207	0.041	3	124.8207	0.041	3	124.8207	0.041	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]S)(CN)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|S<1>,2|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]S)(CN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.6530	0.147	2	120.6530	0.022	2	120.6530	0.022	2	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a])	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(H)2	116.7350	0.000	1	116.7350	0.000	1	118.9650	9.946	2	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(NH)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NH){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.1950	0.000	1	121.1950	0.000	1	118.9650	9.946	2	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(OH)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OH){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(H)2	116.6520	0.000	1	116.6520	0.000	1	116.6520	0.000	1	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(OH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(OH){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	121.0593	0.282	7	121.0593	0.080	7	119.3115	1.678	55	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)(C[6]N[6]H)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|N<3>,2|H<1>}	N(C[6]C[6]2)(O)2	123.0280	0.000	1	123.0280	0.000	1	119.3115	1.678	55	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(OH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OH){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	118.5090	1.030	2	118.5090	1.060	2	119.3115	1.678	55	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(OH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(OH){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	117.4673	0.496	7	118.9928	1.091	45	119.3115	1.678	55	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(OH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(OH){1|C<3>,1|O<1>,1|O<2>}	N(C[6]C[6]2)(O)2	119.2628	0.858	36	118.9928	1.091	45	119.3115	1.678	55	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(OH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(OH){1|C<3>,2|O<1>}	N(C[6]C[6]2)(O)2	119.4705	1.193	2	118.9928	1.091	45	119.3115	1.678	55	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-2:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(C[6]N[6]N)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]O)(NH)	N(C[6]C[6]2)(H)2	C[6](C[6]N[6]C)(C[6]N[6]N)(NHH){1|C<3>,1|O<2>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NH){1|C<2>,1|H<1>,1|N<2>}	N(C[6]C[6]2)(H)2	116.4230	0.000	1	116.4230	0.000	1	116.4230	0.000	1	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]2)2(NOO)	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6])	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]2)2(NOO){1|C<3>,1|H<1>,4|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>}	N(C[6]C[6]2)(O)2	119.6590	0.000	1	119.6590	0.000	1	119.6590	0.000	1	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH){4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	N(C[6]C[6]N[6])(H)2	123.3200	0.000	1	123.3200	0.000	1	123.3200	0.000	1	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	122.1970	0.000	1	122.1970	0.000	1	123.3293	1.357	3	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,3|C<3>}	N(C[6]C[6]N[6])(H)2	123.8955	0.889	2	123.8955	0.790	2	123.3293	1.357	3	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(NN)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.8078	0.588	5	123.8078	0.346	5	123.8078	0.346	5	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(OH)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]O)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(OH){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	122.0130	0.440	4	122.0130	0.194	4	122.0130	0.194	4	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	N[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6])(C[6]N[5,6]N)(CN)	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(NHH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[5,6]N)(CN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]N[5,6]C[6])(H)2	124.0840	0.000	1	124.0840	0.000	1	123.1820	1.627	2	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	N[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NHH)	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN)	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NHH){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN){1|H<1>,2|C<3>}	N(C[6]N[5,6]C[6])(H)2	122.2800	0.000	1	122.2800	0.000	1	123.1820	1.627	2	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CN){3|C<3>}	N(C[6]C[6]N[6])(H)2	123.5630	0.000	1	123.5630	0.000	1	123.5630	0.000	1	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Sr)(C[6]C[6]N)(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Sr)(C[6]C[6]N)(NHH){1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NO){1|Sr<10>,2|C<4>}	N(C[6]C[6]N[6])(H)2	120.2430	0.000	1	120.2430	0.000	1	120.2430	0.000	1	120.0592	4.176	79	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H)	C[6](C[6]C[6]C)(C[6]C[6]N)(CC)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CC){1|C<4>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	127.5400	0.000	1	127.5400	0.000	1	127.5400	0.000	1	119.5392	42.720	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(NO)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NO){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CCO)(H)	114.5910	0.000	1	114.5910	0.000	1	114.5910	0.000	1	119.5392	42.720	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	113.5960	0.000	1	113.5960	0.000	1	113.5960	0.000	1	119.5392	42.720	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|N<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	116.3540	0.000	1	116.3540	0.000	1	116.3540	0.000	1	119.5392	42.720	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:2:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C-3:H-1:	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(OC)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(OC){1|H<1>,2|C<3>}	N(C[6]C[6]N[6])(CCO)(H)	125.6150	0.000	1	125.6150	0.000	1	125.6150	0.000	1	119.5392	42.720	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO)	N(C[6]C[5a,6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO){1|C<3>,1|N<3>,2|N<2>}	N(C[6]C[5a,6]C[6])(H)2	128.3390	0.000	1	128.3390	0.000	1	128.3390	0.000	1	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH)	N(C[6]C[5a,6]C[6])(O)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO){1|C<3>,1|N<3>,2|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	N(C[6]C[5a,6]C[6])(O)2	120.4140	0.000	1	120.4140	0.000	1	120.4140	0.000	1	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(C[6a]C[6a]2)	N(C[6]C[5a,6]C[6])(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(NHH){1|N<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	N(C[6]C[5a,6]C[6])(H)2	126.0940	0.000	1	126.0940	0.000	1	126.0940	0.000	1	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH)	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|O<1>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH){1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]2)(H)2	124.4820	0.000	1	124.4820	0.000	1	124.8803	3.912	6	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(COO)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(COO){1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.3320	0.000	1	121.3320	0.000	1	124.8803	3.912	6	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(CCO)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)2(CCO){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(H)2	126.4370	0.000	1	126.4370	0.000	1	124.8803	3.912	6	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(CC[6a]O)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)2(CC[6a]O){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(H)2	126.8410	0.000	1	126.8410	0.000	1	124.8803	3.912	6	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(CHO)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)2(CHO){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(H)2	125.0950	0.670	2	125.0950	0.449	2	124.8803	3.912	6	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO){2|Br<1>,1|C<3>}	N(C[6]C[6]2)(O)2	118.3470	0.000	1	118.3470	0.000	1	118.3470	0.000	1	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.0445	0.516	8	121.0445	0.266	8	121.5870	3.228	19	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH){1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]2)(H)2	124.6480	0.000	1	124.6480	0.000	1	121.5870	3.228	19	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.7191	0.794	8	120.7191	0.631	8	121.5870	3.228	19	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)2(NOO)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)2(NOO){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	125.6980	0.525	2	125.6980	0.275	2	121.5870	3.228	19	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]N)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]N)2(NOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]2)(O)2	119.8695	0.234	2	119.8695	0.055	2	119.8695	0.055	2	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(O)2	119.4560	0.000	1	119.2030	0.227	3	119.2030	0.227	3	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(O)2	119.0765	0.598	2	119.2030	0.227	3	119.2030	0.227	3	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]N)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	123.3080	0.000	1	123.3080	0.000	1	123.0678	0.131	4	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]N)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	122.6710	0.000	1	122.6710	0.000	1	123.0678	0.131	4	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	122.8570	0.000	1	122.8570	0.000	1	123.0678	0.131	4	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	123.4350	0.000	1	123.4350	0.000	1	123.0678	0.131	4	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]N)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(O)2	122.8183	0.373	4	122.8183	0.139	4	122.8183	0.139	4	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	119.1319	0.438	9	119.1319	0.192	9	119.1319	0.192	9	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(O)2	116.9380	0.000	1	116.9380	0.000	1	120.2625	0.877	25	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	120.5269	0.618	18	120.5269	0.382	18	120.2625	0.877	25	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(O)2	120.7310	0.000	2	120.7310	0.000	2	120.2625	0.877	25	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]N)2(NOO)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]N)2(NOO){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){3|N<3>}	N(C[6]C[6]2)(O)2	119.6698	0.368	4	119.6698	0.135	4	120.2625	0.877	25	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]2)2(NOO)	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H)	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]2)2(NOO){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N(C[6]C[6]2)(O)2	117.9500	0.000	1	117.9500	0.000	1	117.9500	0.000	1	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NOO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NOO){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(O)2	118.9020	0.000	1	118.9020	0.000	1	118.9020	0.000	1	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NHH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Fe)(C[6]C[6]N)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NHH){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Fe)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	123.4350	0.000	1	123.4350	0.000	1	123.4350	0.000	1	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(NHH)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(CHN)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(NHH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(CHN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	122.6490	0.000	1	122.6490	0.000	1	122.6490	0.000	1	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]H)(C[6]N[6]N)(NOO)	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]H)(C[6]N[6]N)(NOO){1|C<3>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH){1|C<3>,1|O<2>,2|H<1>}	N(C[6]C[6]2)(O)2	121.9820	0.000	2	121.9820	0.000	2	121.9820	0.000	2	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO){1|C<3>,2|C<4>}	N(C[6]C[6]N[6])(H)2	120.9320	0.000	1	120.9320	0.000	1	124.9245	2.397	10	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	125.3681	0.695	9	125.3681	0.483	9	124.9245	2.397	10	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	125.9440	0.000	1	125.9440	0.000	1	125.6808	4.852	40	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	122.9763	0.565	15	122.9763	0.320	15	125.6808	4.852	40	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	127.2859	0.569	18	127.2859	0.324	18	125.6808	4.852	40	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]N[6])(H)2	127.8370	0.000	2	127.8370	0.000	2	125.6808	4.852	40	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	C[6](C[6]N[6]N)2(NOO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){3|N<3>}	C[6](C[6]N[6]N)2(NOO){1|C<3>,1|O<1>,1|O<2>}	N(C[6]C[6]N[6])(H)2	127.4560	0.631	4	127.4560	0.398	4	125.6808	4.852	40	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|N<2>,3|C<3>,3|H<1>}	N(C[6]C[6]N[6])(H)2	125.8665	0.525	2	125.8665	0.276	2	124.7198	1.928	4	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){3|C<3>,4|H<1>}	N(C[6]C[6]N[6])(H)2	123.5730	0.499	2	123.5730	0.249	2	124.7198	1.928	4	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	N[5a,6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(COO)	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH){1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(COO){1|H<1>,1|N<2>,3|C<3>}	N(C[6]N[5a,6]C[6])(H)2	128.6750	0.000	1	128.6750	0.000	1	128.6750	0.000	1	122.9431	9.129	137	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(COO)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	119.1780	0.000	1	119.1780	0.000	1	119.1780	0.000	1	121.5504	5.299	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	127.2710	0.000	1	127.2710	0.000	1	127.2710	0.000	1	121.5504	5.299	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N(C[6]C[6]2)(CCO)(H)	123.3380	0.000	1	123.3380	0.000	1	123.3380	0.000	1	121.5504	5.299	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2){1|C<2>,2|H<1>}	N(C[6]C[6]2)(CCO)(H)	117.0540	0.000	1	117.0540	0.000	1	117.0540	0.000	1	121.5504	5.299	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(COO)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.1150	0.418	4	120.1150	0.175	4	120.1150	0.175	4	121.5504	5.299	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CCO)(H)	122.5473	1.042	3	122.5473	1.086	3	122.5473	1.086	3	121.5504	5.299	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H)	N(C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(C[6]C[6]2)(H)	118.3470	0.000	1	118.3470	0.000	1	118.3470	0.000	1	121.5504	5.299	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	N-3:C[6]-3:N[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH)	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH){1|C<3>,2|H<1>}	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	121.4780	0.000	1	121.4780	0.000	1	121.4780	0.000	1	121.5504	5.299	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	N(C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6]C[6]2)(H)	124.1300	0.000	1	124.1300	0.000	1	124.1300	0.000	1	121.5504	5.299	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	122.6162	0.837	4	122.6162	0.701	4	122.6162	0.701	4	121.5504	5.299	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH)	C[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]N)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH){1|S<1>,4|C<3>}	C[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]N){3|H<1>,4|C<3>}	N(C[6]C[6]N[6])(CC[6a]O)(H)	120.8225	0.602	2	120.8225	0.362	2	120.8225	0.362	2	121.5504	5.299	20	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N)	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N){1|N<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	120.4395	15.032	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N-3:C-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(NCN)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	N(C[6]C[6]N[6])(NPdC)(CCO)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(NCN){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	N(C[6]C[6]N[6])(NPdC)(CCO)	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	120.4395	15.032	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	124.1910	0.245	2	124.1910	0.060	2	124.1910	0.060	2	123.9143	0.260	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:4:	N-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N-3:	C[6a]-3:C[6]-3:C[3]-4:	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[3]C[3]2H)	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[3]C[3]2H)	123.3610	0.000	1	123.3610	0.000	1	123.3610	0.000	1	123.9143	0.260	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	N(C[6]C[6]2)(CCHH)(H)	126.9850	0.000	1	126.9850	0.000	1	126.9850	0.000	1	123.9329	18.326	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CCHH)(H)	128.8190	0.262	2	128.8190	0.068	2	128.6887	0.085	3	123.9329	18.326	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	N(C[6]C[6]2)(CH3)(H)	128.4280	0.000	1	128.4280	0.000	1	128.6887	0.085	3	123.9329	18.326	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O){1|C<3>,2|C<4>}	N(C[6]C[6]N[6])(CCHH)(H)	119.9970	0.000	1	119.9970	0.000	1	120.7830	1.236	2	123.9329	18.326	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	N(C[6]C[6]N[6])(CHPP)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CHPP)(H)	121.5690	0.000	1	121.5690	0.000	1	120.7830	1.236	2	123.9329	18.326	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[3]-4:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H)	N(C[6]C[6]N[6])(C[3]C[3]2H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[3]C[3]2H)(H)	122.5270	0.000	1	122.5270	0.000	1	122.5270	0.000	1	123.9329	18.326	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6]H)(C[6]N[6]N)(NOO)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]N)(NOO){1|C<3>,2|C<4>}	N(C[6]C[6]N[6])(CH3)(H)	119.1260	0.000	2	119.1260	0.000	2	119.1260	0.000	2	123.9329	18.326	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC){1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]2)(CH3)2	122.7510	3.220	2	122.7510	10.369	2	122.7510	10.369	2	122.7510	10.369	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[5]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[5]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N)	N(C[5]C[5]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[5]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	N(C[5]C[5]2N)(C[6]C[6]2)(H)	125.1615	3.532	2	125.1615	12.475	2	125.1615	12.475	2	125.3526	5.936	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N)	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2N)(C[6]C[6]2)(H)	125.4800	2.361	3	125.4800	5.574	3	125.4800	5.574	3	125.3526	5.936	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3)	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]2)(H)2	124.6370	0.000	1	124.6370	0.000	1	121.9373	1.502	7	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(H)2	121.3423	0.348	3	121.4873	0.102	6	121.9373	1.502	7	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Cd<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.6760	0.361	2	121.4873	0.102	6	121.9373	1.502	7	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.5450	0.000	1	121.4873	0.102	6	121.9373	1.502	7	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	121.6010	0.000	1	121.8546	0.250	31	121.4989	1.377	35	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	121.8631	0.506	30	121.8546	0.250	31	121.4989	1.377	35	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(CH3)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)2(CH3){1|C<3>,1|C<4>,1|O<1>}	N(C[6]C[6]2)(O)2	119.6980	0.000	1	119.6980	0.000	1	121.4989	1.377	35	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	N(C[6]C[6]2)(O)2	119.9110	0.000	1	119.9110	0.000	1	121.4989	1.377	35	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)2(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|O<1>}	N(C[6]C[6]2)(O)2	118.1470	0.000	1	118.1470	0.000	1	121.4989	1.377	35	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)2(NOO)	C[6](C[6]C[6]N)2(CH3)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)2(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)2(CH3){1|C<3>,1|C<4>,1|O<1>}	N(C[6]C[6]2)(O)2	117.2100	0.000	1	117.2100	0.000	1	121.4989	1.377	35	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(NH3)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NH3){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	123.0536	0.277	5	123.0536	0.077	5	123.0536	0.077	5	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:S-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(SO3)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	123.1935	0.224	2	123.1935	0.050	2	123.1935	0.050	2	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:S-4:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO)	C[6](C[6]C[6]N)2(SO3)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]N)2(SO3){1|C<4>,2|H<1>}	N(C[6]C[6]2)(O)2	121.0435	0.139	2	121.0435	0.019	2	121.0435	0.019	2	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.2437	0.753	21	123.2437	0.566	21	123.2949	0.605	23	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.0090	0.000	1	123.0090	0.000	1	123.2949	0.605	23	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	124.6550	0.000	1	124.6550	0.000	1	123.2949	0.605	23	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(NH3)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NH3){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	124.6103	0.460	4	124.6103	0.212	4	124.9630	0.781	5	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(NH3)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NH3){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	126.3740	0.000	1	126.3740	0.000	1	124.9630	0.781	5	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Co<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.7995	0.244	2	120.7995	0.060	2	120.7260	0.046	3	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.5790	0.000	1	120.5790	0.000	1	120.7260	0.046	3	122.3480	2.089	82	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	119.2400	0.000	1	119.2400	0.000	1	119.5578	2.727	5	120.2608	10.161	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]C)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	N(C[6]C[6]2)(CC[6a]O)(H)	119.6372	1.896	4	119.6372	3.593	4	119.5578	2.727	5	120.2608	10.161	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	N(C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	N(C[6]C[6]N[6])(C[6]C[6]2)(H)	120.8080	0.000	1	120.8080	0.000	1	120.8080	0.000	1	120.2608	10.161	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	128.7540	0.000	1	128.7540	0.000	1	128.7540	0.000	1	120.2608	10.161	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:S-4:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.9635	0.012	2	122.5750	0.390	4	122.5750	0.390	4	120.2608	10.161	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:S-4:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.1865	0.752	2	122.5750	0.390	4	122.5750	0.390	4	120.2608	10.161	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.4470	0.234	3	117.4470	0.055	3	117.3044	0.077	5	120.2608	10.161	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]C)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.0905	0.210	2	117.0905	0.044	2	117.3044	0.077	5	120.2608	10.161	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-3:	C[6](N[6]C[6]Pd)(C[6]C[6]C)(NCN)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	N(C[6]C[6]N[6])(NPdC)(CCO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(NCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NPdC)(CCO)	122.6260	0.000	1	122.6260	0.000	1	122.6260	0.000	1	122.6260	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	N(C[6]C[6]N[6])(CC[6a]IrH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]IrH)(H)	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]C)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	N(C[6]C[6]2)(CH3)2	117.2545	0.006	2	117.2545	0.000	2	120.4942	14.082	4	121.1414	12.656	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]C)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	N(C[6]C[6]2)(CH3)2	123.7340	0.513	2	123.7340	0.264	2	120.4942	14.082	4	121.1414	12.656	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:3:4:	3:4:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH)	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	123.7300	0.000	1	123.7300	0.000	1	123.7300	0.000	1	121.1414	12.656	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:4:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NOO)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]2)(O)2	119.8035	0.029	2	119.8035	0.001	2	119.8035	0.001	2	119.8035	0.001	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	127.5690	0.000	1	127.5690	0.000	1	127.5690	0.000	1	124.6187	7.215	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(CC[6a]O)(H)	123.1435	1.172	2	123.1435	1.373	2	123.1435	1.373	2	124.6187	7.215	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:4:3:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:S-4:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(NHS)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]N)	N(C[6]C[6]N[6])(SC[6a]OO)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(NHS){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]N){1|S<4>,2|H<1>,4|C<3>}	N(C[6]C[6]N[6])(SC[6a]OO)(H)	126.3420	0.000	1	126.3420	0.000	1	126.3420	0.000	1	126.3420	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C[6](C[6]C[6,6a]N)(C[6]C[6]CH)(COO)	N(C[6]C[6,6a]C[6])(CCHH)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]CH)(COO){1|O<2>,3|C<3>}	N(C[6]C[6,6a]C[6])(CCHH)2	125.5035	0.607	4	125.5035	0.368	4	125.5035	0.368	4	125.5035	0.368	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-4:S-4:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SCOO)	N(C[6]C[6,6a]C[6])(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SCOO){2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(CCO)(H)	121.8750	0.000	1	121.8750	0.000	1	122.7055	1.379	2	122.7055	1.379	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-4:S-4:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SC[6a]OO)	N(C[6]C[6,6a]C[6])(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(CCO)(H)	123.5360	0.000	1	123.5360	0.000	1	122.7055	1.379	2	122.7055	1.379	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	121.1250	0.000	1	121.1250	0.000	1	121.1250	0.000	1	121.1250	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO)	C[6](C[6]C[6]HN)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6]C[6]2)(O)2	115.2500	0.351	2	115.2500	0.123	2	115.2500	0.123	2	115.2500	0.123	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[3,6]-4:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]2)(CCO)(H)	111.2610	0.460	2	111.2610	0.211	2	111.2610	0.211	2	118.7744	74.759	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H){1|O<1>,2|H<1>,4|C<4>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	129.5370	0.813	4	129.5370	0.661	4	129.5370	0.661	4	118.7744	74.759	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|C<4>,1|S<2>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	118.7744	74.759	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(O){1|H<1>,3|C<4>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	111.2593	0.367	4	111.2593	0.135	4	111.2593	0.135	4	118.7744	74.759	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	Si[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H)	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H){2|Br<1>,1|C<4>,1|N<3>}	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.5800	0.000	1	122.5800	0.000	1	122.5800	0.000	1	118.7744	74.759	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6]AgH)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(NC[6a]2){1|Ag<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]AgH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	Si[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:Si-4:	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si)	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(SiBr3)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si){2|Br<1>,1|C<4>,1|N<3>}	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(SiBr3)	121.5740	0.000	1	121.5740	0.000	1	121.5740	0.000	1	121.5740	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]N[6]HP)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,1|P<4>,2|H<1>}	C[6](C[6]N[6]HP)(C[6]C[6]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	123.3780	0.000	1	123.3780	0.000	1	122.7335	0.831	2	122.7335	0.831	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]N[6]ZrH)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(NCC){1|Zr<13>,1|N<3>,2|H<1>}	C[6](C[6]N[6]ZrH)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.0890	0.000	1	122.0890	0.000	1	122.7335	0.831	2	122.7335	0.831	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:N-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]C[6]N)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]C[6]N)(NOO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN){2|C<4>,2|H<1>}	N(C[6]C[6]2)(O)2	114.9780	0.000	1	114.9780	0.000	1	114.9780	0.000	1	123.7695	6.664	17	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6]C[6]N[6])(H)2	123.0880	0.000	1	123.0880	0.000	1	124.2095	2.516	2	123.7695	6.664	17	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|H<1>,3|C<3>}	N(C[6]C[6]N[6])(H)2	125.3310	0.000	1	125.3310	0.000	1	124.2095	2.516	2	123.7695	6.664	17	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	N[5a,6]-3:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN)	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH){1|C<4>,1|N<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N(C[6]N[5a,6]C[6])(H)2	125.3250	0.000	1	125.3250	0.000	1	125.3250	0.000	1	123.7695	6.664	17	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	N[5a,6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN)	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN){1|N<3>,5|C<3>}	N(C[6]N[5a,6]C[6])(H)2	125.8040	0.000	1	125.8040	0.000	1	125.8040	0.000	1	123.7695	6.664	17	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	N[6,6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN)	N(C[6]N[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6]N[6,6]C[6])(H)2	122.1480	0.000	1	122.1480	0.000	1	122.1480	0.000	1	123.7695	6.664	17	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN){1|N<3>,1|O<1>,5|C<3>}	N(C[6]C[6]N[6])(H)2	123.7955	0.094	2	123.7955	0.009	2	123.7955	0.009	2	123.7695	6.664	17	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[6]C[5,6]C)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN){1|C<4>,4|C<3>}	N(C[6]C[6]N[6])(H)2	122.0210	0.000	1	122.0210	0.000	1	124.4241	1.673	9	123.7695	6.664	17	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){5|C<3>}	N(C[6]C[6]N[6])(H)2	123.7295	0.689	2	123.7295	0.475	2	124.4241	1.673	9	123.7695	6.664	17	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	N(C[6]C[6]N[6])(H)2	125.9135	1.153	2	125.9135	1.330	2	124.4241	1.673	9	123.7695	6.664	17	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){5|C<3>}	N(C[6]C[6]N[6])(H)2	124.6275	0.280	4	124.6275	0.079	4	124.4241	1.673	9	123.7695	6.664	17	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:S-2:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC){1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	120.0610	0.000	1	120.0610	0.000	1	120.0610	0.000	1	122.2497	4.520	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H){4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	122.3810	0.000	1	122.3810	0.000	1	122.3810	0.000	1	122.2497	4.520	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:2:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	124.3070	0.000	1	124.3070	0.000	1	124.3070	0.000	1	122.2497	4.520	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	N(C[6]C[6]2)(H)2	124.6135	0.364	2	124.6135	0.133	2	124.6135	0.133	2	124.0094	0.511	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:1:1:	N[5,6]-3:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]C)(NHH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O)	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]C)(NHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	N(C[6]N[5,6]C[6])(H)2	123.5870	0.881	4	123.5870	0.777	4	123.5870	0.777	4	124.0094	0.511	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CNO)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CNO){5|C<3>}	N(C[6]C[6]N[6])(H)2	124.2310	0.000	1	124.2310	0.000	1	124.0781	0.366	7	124.0094	0.511	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH){1|H<1>,1|S<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O){5|C<3>}	N(C[6]C[6]N[6])(H)2	123.6280	0.000	1	123.6280	0.000	1	124.0781	0.366	7	124.0094	0.511	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH){1|H<1>,1|S<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO){5|C<3>}	N(C[6]C[6]N[6])(H)2	125.2500	0.000	1	125.2500	0.000	1	124.0781	0.366	7	124.0094	0.511	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO){5|C<3>}	N(C[6]C[6]N[6])(H)2	124.1260	0.000	1	124.1260	0.000	1	124.0781	0.366	7	124.0094	0.511	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O){1|H<1>,5|C<3>}	N(C[6]C[6]N[6])(H)2	123.5520	0.000	1	123.5520	0.000	1	124.0781	0.366	7	124.0094	0.511	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO){5|C<3>}	N(C[6]C[6]N[6])(H)2	124.2260	0.000	1	124.2260	0.000	1	124.0781	0.366	7	124.0094	0.511	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO){5|C<3>}	N(C[6]C[6]N[6])(H)2	123.5340	0.000	1	123.5340	0.000	1	124.0781	0.366	7	124.0094	0.511	13	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	P[6]-4:C[6]-3:P-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H)	C[6](P[6]C[6a]2N[6])(C[6]N[6]N)(PC[6a]2)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H){1|N<3>,4|C<3>}	C[6](P[6]C[6a]2N[6])(C[6]N[6]N)(PC[6a]2){1|B<4>,1|H<1>,5|C<3>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	119.0750	0.000	1	119.0750	0.000	1	119.0750	0.000	1	119.0750	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6,6]-4:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]N)(NOO)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)(H)	123.2980	0.000	1	123.2980	0.000	1	123.2980	0.000	1	123.9500	3.485	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	N(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	N(C[6]C[6]N[6])(CH3)(H)	125.8320	0.000	1	125.1220	0.596	3	124.1130	4.470	4	123.9500	3.485	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	N(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	N(C[6]C[6]N[6])(CH3)(H)	124.7670	0.660	2	125.1220	0.596	3	124.1130	4.470	4	123.9500	3.485	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO){3|C<4>}	N(C[6]C[6]N[6])(CC[6a]HH)(H)	121.0860	0.000	1	121.0860	0.000	1	124.1130	4.470	4	123.9500	3.485	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:4:4:	C[6,6a]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(NOO)	N(C[6]C[6,6a]C[6])(CCHH)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(NOO){1|O<2>,5|C<3>}	N(C[6]C[6,6a]C[6])(CCHH)2	127.0930	0.000	1	127.0930	0.000	1	127.0930	0.000	1	126.8033	1.714	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:4:4:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	128.1440	0.000	1	128.1440	0.000	1	126.7067	2.516	3	126.8033	1.714	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:4:4:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	126.9710	0.000	1	126.9710	0.000	1	126.7067	2.516	3	126.8033	1.714	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:3:	3:4:4:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO)	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO){3|C<4>}	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	125.0050	0.000	1	125.0050	0.000	1	126.7067	2.516	3	126.8033	1.714	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:4:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]C[6]N)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]C[6]N)(NOO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<4>,1|N<2>,2|H<1>}	N(C[6]C[6]2)(O)2	118.2210	0.000	1	118.2210	0.000	1	118.2210	0.000	1	118.2210	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:4:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6,6a]N)(C[6]C[6]HH)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	128.9640	0.000	1	128.9640	0.000	1	128.9640	0.000	1	128.9640	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:3:3:	4:3:4:	3:4:4:	C[6,6a]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3)	N(C[6]C[6,6a]C[6])(CC[6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3){4|C<3>}	N(C[6]C[6,6a]C[6])(CC[6a]HH)(SC[6a]OO)	121.1095	0.220	2	121.1095	0.048	2	121.1095	0.048	2	121.1095	0.048	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:4:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-4:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]H)(C[6]S[6]CH)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]H)(C[6]S[6]CH)(NOO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	118.0990	0.000	1	118.0990	0.000	1	118.0990	0.000	1	118.0990	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:4:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-4:N-3:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	N(C[6]C[6]2)(H)2	125.6240	0.000	1	125.6240	0.000	1	125.6240	0.000	1	125.6240	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:4:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-4:N-3:	N[5,6]-3:C[6]-3:N-2:	C[6]-3:O-2:O-1:	C[6](C[6]N[5,6]N)(C[6]C[6]CC)(NOO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(NH)	N(C[6]C[6]2)(OH)(O)	C[6](C[6]N[5,6]N)(C[6]C[6]CC)(NOO){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(NH){1|N<3>,2|H<1>,5|C<4>}	N(C[6]C[6]2)(OH)(O)	119.0490	0.000	1	119.0490	0.000	1	119.0490	0.000	1	119.0490	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:4:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-4:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NHH)	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NHH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	N(C[6]C[6]2)(H)2	122.4830	0.255	2	122.4830	0.065	2	122.4830	0.065	2	122.4830	0.065	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:4:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-4:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O)	N(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5a]H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:4:3:	3:4:3:	3:1:1:	C[6]-3:C[6]-4:N-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]N)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(NOO){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]N){1|N<3>,2|C<3>,6|H<1>}	N(C[6]C[6]2)(O)2	121.5740	0.000	1	121.5740	0.000	1	121.5740	0.000	1	121.5740	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:4:3:	4:3:1:	3:1:1:	C[6]-3:C[6]-4:N-3:	C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]CH)(NOO)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[5,5,6]H)(C[6]C[6]CH)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]N)(H){2|C<4>,2|H<1>,4|C<3>}	N(C[6]C[6]2)(O)2	116.8370	0.000	1	116.8370	0.000	1	116.8370	0.000	1	116.8370	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:4:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-4:N-3:	C[5]-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.8120	0.000	1	119.8120	0.000	1	121.9860	2.955	4	121.9860	2.955	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:4:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-4:N-3:	C[5]-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|O<1>,3|C<3>,3|C<4>}	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	123.2945	0.721	2	123.2945	0.519	2	121.9860	2.955	4	121.9860	2.955	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:4:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-4:N-3:	C[5]-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.5430	0.000	1	121.5430	0.000	1	121.9860	2.955	4	121.9860	2.955	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:4:3:	4:4:3:	3:4:4:	C[6]-3:C[6]-4:N-3:	N[6]-4:C[6]-4:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<4>,2|C<4>,5|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	N(C[6]C[6]2)(CH3)2	110.8190	0.000	1	109.7335	2.357	2	109.7335	2.357	2	109.7335	2.357	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	3:4:3:	4:4:3:	3:4:4:	C[6]-3:C[6]-4:N-3:	N[6]-4:C[6]-4:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<5>,2|C<4>,5|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	N(C[6]C[6]2)(CH3)2	108.6480	0.000	1	109.7335	2.357	2	109.7335	2.357	2	109.7335	2.357	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	2:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	O[6]-2:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]C[5a]H)(C[6]O[6]H)(NOO)	C[6](O[6]C[6,6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]C[5a]H)(C[6]O[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N(C[6]C[6]2)(O)2	116.7490	0.000	1	116.7490	0.000	1	116.7490	0.000	1	116.7490	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	2:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]2)(O)2	120.0177	0.243	4	120.0177	0.059	4	120.2839	0.155	15	120.2839	0.155	15	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	2:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO)	C[6](O[6]C[6,6])(C[6]C[6]N)(NHH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]N)(NHH){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]2)(O)2	119.6170	0.000	1	119.6170	0.000	1	120.2839	0.155	15	120.2839	0.155	15	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	2:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(NOO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]2)(O)2	120.5710	0.304	2	120.5710	0.092	2	120.2839	0.155	15	120.2839	0.155	15	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	2:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(NOO){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,3|C<3>}	N(C[6]C[6]2)(O)2	120.4495	0.371	6	120.4495	0.138	6	120.2839	0.155	15	120.2839	0.155	15	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	2:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6,6a]HS)(C[6]O[6]N)(NOO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,1|S<2>,2|C<3>}	N(C[6]C[6]2)(O)2	120.3655	0.380	2	120.3655	0.144	2	120.2839	0.155	15	120.2839	0.155	15	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:2:3:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:O[6]-2:N-3:	C[6]-3:O-1:O-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO)	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH)	N(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH){1|C<4>,3|C<3>}	N(C[6]C[5,6]C[6])(O)2	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	120.2260	0.203	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:2:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:O[6]-2:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO)	C[6](C[6]C[6]N)(O[6]C[6])(NCH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(NOO){1|C<2>,3|C<3>}	C[6](C[6]C[6]N)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	N(C[6]C[6]2)(O)2	120.3489	0.310	7	120.3489	0.096	7	120.3489	0.096	7	120.2260	0.203	8	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]H)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(H)	N(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]H)(NOO){2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6]C[5,6]C[6])(O)2	119.3370	0.000	2	119.3370	0.000	2	119.3370	0.000	2	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]N)(H)	N(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO){1|C<3>,2|C<4>,2|N<3>}	C[6](C[6]C[5,6]N)(C[6]C[6]N)(H){1|C<3>,1|H<1>,2|O<2>}	N(C[6]C[5,6]C[6])(O)2	116.8520	0.880	2	116.8520	0.774	2	116.8520	0.774	2	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]N)(H)	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]H)(NOO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]N)(H){2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6,6]C[6])(O)2	116.7360	0.000	1	116.7360	0.000	1	116.7360	0.000	1	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[5a,6]N)(C[6]C[6,6]N)(H)	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6]H)(NOO){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5a,6]N)(C[6]C[6,6]N)(H){1|N<2>,1|N<3>,2|C<3>}	N(C[6]C[6,6]C[6])(O)2	119.9460	0.000	1	119.9460	0.000	1	119.9460	0.000	1	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H)	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	N(C[6]C[6,6]C[6])(O)2	119.9090	0.722	3	119.9090	0.521	3	119.7155	0.497	4	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(H)	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(H){1|C<3>,2|H<1>,2|N<3>}	N(C[6]C[6,6]C[6])(O)2	119.1350	0.000	1	119.1350	0.000	1	119.7155	0.497	4	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]H)(NOO){1|Fe<10>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	119.9210	0.000	1	119.9210	0.000	1	118.8286	1.477	7	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(NOO){1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(O)2	120.5830	0.000	1	120.5830	0.000	1	118.8286	1.477	7	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(O)2	119.4710	0.000	1	119.4710	0.000	1	118.8286	1.477	7	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	117.3270	0.000	1	117.9562	0.378	4	118.8286	1.477	7	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(NOO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|S<2>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(O)2	118.1660	0.551	3	117.9562	0.378	4	118.8286	1.477	7	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO)	C[6](C[6]C[5,6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO){1|C<4>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,2|N<3>}	N(C[6]C[6]2)(O)2	119.5560	0.000	1	119.5560	0.000	1	119.5560	0.000	1	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	117.6220	0.205	2	117.6220	0.042	2	117.6220	0.042	2	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	C[6](N[6]C[6a]C[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]N)(H){2|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6]2)(O)2	116.6120	0.000	1	116.6120	0.000	1	116.6120	0.000	1	118.6254	1.788	21	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	N(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	124.5050	1.062	4	124.5050	1.127	4	124.5050	1.127	4	124.4555	1.319	24	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	123.9130	0.000	1	123.9130	0.000	1	124.7080	1.264	2	124.4555	1.319	24	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[6]2)(CC[6a]O)(H)	125.5030	0.000	1	125.5030	0.000	1	124.7080	1.264	2	124.4555	1.319	24	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	122.4060	0.000	1	122.4060	0.000	1	124.5432	1.288	17	124.4555	1.319	24	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	125.1568	1.027	4	124.8029	0.853	15	124.5432	1.288	17	124.4555	1.319	24	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	125.5690	0.000	1	124.8029	0.853	15	124.5432	1.288	17	124.4555	1.319	24	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	124.9820	0.000	1	124.8029	0.853	15	124.5432	1.288	17	124.4555	1.319	24	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	124.5406	0.938	9	124.8029	0.853	15	124.5432	1.288	17	124.4555	1.319	24	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H){1|Cl<1>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|P<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.7850	0.000	1	122.7850	0.000	1	124.5432	1.288	17	124.4555	1.319	24	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:I-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(I)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(I){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.2630	0.000	1	122.2630	0.000	1	122.2630	0.000	1	124.4555	1.319	24	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]OW)(C[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]OW)(C[6]C[6]H)(NC[6a]2){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,1|W<9>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	121.6090	0.000	1	121.6090	0.000	1	121.6090	0.000	1	120.3777	1.146	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:3:3:	C[6]-4:N-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]OW)(NC[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)2	C[6](C[6]C[6]OW)(NC[6a]C[6])(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,1|W<9>}	N(C[6a]C[6a]2)(C[6]C[6]2)2	119.7620	0.134	2	119.7620	0.018	2	119.7620	0.018	2	120.3777	1.146	3	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(Br)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(Br){1|C<4>,4|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	122.5470	0.000	1	122.5470	0.000	1	122.5470	0.000	1	123.7673	0.990	7	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2)(CCCH)(H)	123.9217	0.570	3	123.9217	0.325	3	123.9707	0.841	6	123.7673	0.990	7	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2)(CCHH)(H)	123.9740	0.000	1	123.9740	0.000	1	123.9707	0.841	6	123.7673	0.990	7	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	122.7130	0.000	1	122.7130	0.000	1	123.9707	0.841	6	123.7673	0.990	7	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]N[6]O)(H)	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	N(C[6]C[6]2)(CC[6a]CH)(H)	125.3720	0.000	1	125.3720	0.000	1	123.9707	0.841	6	123.7673	0.990	7	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:4:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(NCC)	C[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	N(C[6]C[5,6]C[6])(CH3)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(NCC){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|Fe<10>,2|C<4>}	N(C[6]C[5,6]C[6])(CH3)2	124.3470	0.000	1	124.3470	0.000	1	124.3470	0.000	1	122.0572	4.915	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:4:	C[6,6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H)	N(C[6]C[6,6]C[6])(CH3)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC){2|H<1>,4|C<3>}	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6,6]C[6])(CH3)2	123.6080	0.000	1	123.6080	0.000	1	123.6080	0.000	1	122.0572	4.915	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:4:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6a]C[6a]Pd)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6,6a]C[6a]Pd)(C[6]C[6]H)(NCC){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N)(H){1|Pd<4>,3|C<3>}	N(C[6]C[6]2)(CH3)2	117.1850	0.000	1	117.1850	0.000	1	119.5007	4.030	3	122.0572	4.915	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:4:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CH3)2	120.6585	0.125	2	120.6585	0.016	2	119.5007	4.030	3	122.0572	4.915	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:4:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](C[6]C[6]CrH)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(PCrCC)(CH3)	C[6](C[6]C[6]CrH)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cr<7>,1|C<3>,1|H<1>,1|H<2>}	N(C[6]C[6]2)(PCrCC)(CH3)	123.2295	0.339	2	123.2295	0.115	2	123.0145	0.112	4	122.0572	4.915	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:4:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-4:	C[6](C[6]C[6]MoH)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(PMoCC)(CH3)	C[6](C[6]C[6]MoH)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Mo<7>,1|C<3>,1|H<1>,1|H<2>}	N(C[6]C[6]2)(PMoCC)(CH3)	122.7995	0.190	2	122.7995	0.036	2	123.0145	0.112	4	122.0572	4.915	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	124.1980	0.602	2	124.1980	0.363	2	124.1980	0.363	2	124.1980	0.363	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:2:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(CN)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	N(C[6]C[5,6]C[6])(H)2	123.5060	0.000	1	123.5060	0.000	1	123.5060	0.000	1	124.2712	4.390	10	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:2:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]N)(CN)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]N)(CN){1|H<1>,2|C<4>,3|C<3>}	N(C[6]C[5,6]C[6])(H)2	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	124.2712	4.390	10	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:2:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN)	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	N(C[6]C[6,6]C[6])(H)2	124.6880	0.000	1	124.6880	0.000	1	124.6880	0.000	1	124.2712	4.390	10	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[5,6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]C)(NHH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CN)	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[5,6]C)(NHH){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	N(C[6]C[6]2)(H)2	124.9640	0.000	1	124.9640	0.000	1	124.9640	0.000	1	124.2712	4.390	10	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)(CN)	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH){4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)(CN){2|C<2>,2|C<3>,2|C<4>}	N(C[6]C[6]2)(H)2	126.2410	0.000	2	126.2410	0.000	2	126.2410	0.000	2	124.2712	4.390	10	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,2|C<2>}	N(C[6]C[6]2)(H)2	126.4720	0.000	1	126.4720	0.000	1	126.0255	0.399	2	124.2712	4.390	10	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(CN)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(CN){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	N(C[6]C[6]2)(H)2	125.5790	0.000	1	125.5790	0.000	1	126.0255	0.399	2	124.2712	4.390	10	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:S-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]C)(SC)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(SC){1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(O)2	120.8915	0.217	2	120.8915	0.047	2	120.8915	0.047	2	124.2712	4.390	10	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(NO)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(NO){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	119.1863	2.419	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(OC)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(OC){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.0970	0.000	1	118.0970	0.000	1	118.0970	0.000	1	119.1863	2.419	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:S-2:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(SC[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(SC[6]){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.4810	0.684	2	120.4810	0.469	2	120.4810	0.469	2	119.1863	2.419	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:3:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH)	N(C[6]C[6,6]C[6])(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH){2|H<1>,3|C<4>}	N(C[6]C[6,6]C[6])(O)2	120.6850	0.000	1	120.6850	0.000	1	120.6850	0.000	1	122.7049	2.706	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]N)(NOO){1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6]C[6]2)(O)2	122.3880	0.000	1	122.3880	0.000	1	122.3880	0.000	1	122.7049	2.706	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO){1|C<3>,1|O<2>,2|C<4>}	N(C[6]C[6]2)(H)2	125.2413	0.202	3	125.2413	0.041	3	125.2413	0.041	3	122.7049	2.706	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(O)2	122.0380	0.000	1	121.8540	0.068	2	121.9517	0.372	7	122.7049	2.706	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	121.6700	0.000	1	121.8540	0.068	2	121.9517	0.372	7	122.7049	2.706	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2)(O)2	121.6260	0.000	1	121.5163	0.218	3	121.9517	0.372	7	122.7049	2.706	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|S<2>,2|C<3>}	N(C[6]C[6]2)(O)2	121.4615	0.647	2	121.5163	0.218	3	121.9517	0.372	7	122.7049	2.706	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO){3|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|N<3>,4|H<1>}	N(C[6]C[6]2)(O)2	122.7900	0.000	1	122.7900	0.000	1	121.9517	0.372	7	122.7049	2.706	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	N(C[6]C[6]2)(O)2	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO){3|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|N<3>,4|H<1>}	N(C[6]C[6]2)(O)2	122.6150	0.000	1	122.6150	0.000	1	121.9517	0.372	7	122.7049	2.706	12	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.5601	0.446	9	122.5601	0.199	9	122.5601	0.199	9	122.5601	0.199	9	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:3:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	118.9980	0.000	1	118.9980	0.000	1	118.9980	0.000	1	118.9980	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:3:	3:3:4:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:P-4:	C[6](C[6]C[6]RuH)(C[6]C[6]C)(NC[6a]P)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH)	N(C[6a]C[6a]2)(C[6]C[6]2)(PRuCC)	C[6](C[6]C[6]RuH)(C[6]C[6]C)(NC[6a]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH){1|Ru<8>,1|C<3>,1|H<1>,1|H<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)(PRuCC)	119.9280	0.400	2	119.9280	0.160	2	119.9280	0.160	2	119.9280	0.160	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:4:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)	N(C[6]C[6]2)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	N(C[6]C[6]2)(H)2	122.7870	0.523	2	122.7870	0.274	2	122.6433	0.199	3	122.1216	0.898	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:4:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	N(C[6]C[6]2)(H)2	122.3560	0.000	1	122.3560	0.000	1	122.6433	0.199	3	122.1216	0.898	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:4:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]2)(O)2	120.5800	0.000	1	120.5800	0.000	1	120.5800	0.000	1	122.1216	0.898	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:4:	3:1:1:	C[6]-4:C[6]-3:N-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-1:O-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO)	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH)	N(C[6]C[6]2)(O)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N(C[6]C[6]2)(O)2	122.0980	0.000	1	122.0980	0.000	1	122.0980	0.000	1	122.1216	0.898	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	125.4340	0.000	1	125.4340	0.000	1	125.7512	0.544	5	125.7512	0.544	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	124.7340	0.000	1	125.1925	0.420	2	125.7512	0.544	5	125.7512	0.544	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	125.6510	0.000	1	125.1925	0.420	2	125.7512	0.544	5	125.7512	0.544	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	126.4685	0.026	2	126.4685	0.001	2	125.7512	0.544	5	125.7512	0.544	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:3:4:	3:4:3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]IrC)(C[6]C[6]C)(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	N(C[6]C[6]2)(CCHH)(CIrN)	C[6](C[6]C[6]IrC)(C[6]C[6]C)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|Ir<7>,1|C<3>,2|C<4>}	N(C[6]C[6]2)(CCHH)(CIrN)	118.9320	0.000	1	118.9320	0.000	1	118.9320	0.000	1	118.9320	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	3:4:2:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[6]-3:C[6]-4:C-2:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CN)	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]C)(NHH){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CN){1|N<3>,2|C<4>,2|H<1>}	N(C[6]C[6,6]C[6])(H)2	123.9910	0.000	1	123.9910	0.000	1	123.9910	0.000	1	123.9910	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(NOO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2)(O)2	118.6180	0.000	1	118.6180	0.000	1	119.5315	1.669	2	119.5315	1.669	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]O[6]HO)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]HO)(C[6]C[6]N)(H)	N(C[6]C[6]2)(O)2	C[6](C[6]O[6]HO)(C[6]C[6]H)(NOO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]N)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2)(O)2	120.4450	0.000	1	120.4450	0.000	1	119.5315	1.669	2	119.5315	1.669	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]N)(H){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	N(C[6]C[6]2)(COO)(H)	119.4950	0.000	1	119.4950	0.000	1	119.4950	0.000	1	121.9087	8.015	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]N)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	N(C[6]C[6]2)(COO)(H)	125.0250	0.000	1	125.0250	0.000	1	125.0250	0.000	1	121.9087	8.015	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)	N(C[5]C[5,6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5]O){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[5]C[5,6a]2)(C[6]C[6]2)(O)	119.5250	0.000	1	119.5250	0.000	1	119.5250	0.000	1	121.9087	8.015	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	N(C[6]C[6]2)(CC[6a]O)(H)	123.5900	0.000	1	123.5900	0.000	1	123.5900	0.000	1	121.9087	8.015	4	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:S-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NHS)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NHS){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2)(SC[6a]OO)(H)	124.3700	0.000	1	124.3700	0.000	1	124.3700	0.000	1	124.3700	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:1:	3:4:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CCHH)(COO)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]2)(CCHH)(COO)	122.1140	0.000	1	122.1140	0.000	1	121.2930	1.348	2	121.2930	1.348	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:1:	3:4:3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]HH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(CCO)	120.4720	0.000	1	120.4720	0.000	1	121.2930	1.348	2	121.2930	1.348	2	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:2:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	N(C[6]C[5,6]C[6])(H)2	123.4235	0.688	2	123.3593	0.249	3	123.3593	0.249	3	123.9765	1.108	6	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:2:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	N(C[6]C[5,6]C[6])(H)2	123.2310	0.000	1	123.3593	0.249	3	123.3593	0.249	3	123.9765	1.108	6	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:2:	3:1:1:	C[6,6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]N)(CN)	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]N)(CN){2|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6,6]C[6])(H)2	123.2770	0.000	1	123.2770	0.000	1	123.2770	0.000	1	123.9765	1.108	6	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]N)(CN){1|C<4>,1|S<2>,2|C<2>,3|C<3>}	N(C[6]C[6]2)(H)2	125.2520	0.396	2	125.2520	0.157	2	125.2520	0.157	2	123.9765	1.108	6	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:3:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	125.6420	0.000	1	125.6420	0.000	1	125.6420	0.000	1	125.6420	0.000	1	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	N(C[5a]C[5a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,4|H<1>}	N(C[5a]C[5a]2)(C[6]C[6]2)(H)	122.3850	0.000	1	122.3850	0.000	1	122.3850	0.000	1	123.6171	1.528	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	N(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<3>,1|N<3>,2|H<1>}	N(C[6]C[6]2)(NCH)(H)	122.5270	0.000	1	122.5270	0.000	1	122.5270	0.000	1	123.6171	1.528	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.2140	0.000	1	122.2140	0.000	1	123.7830	1.526	14	123.6171	1.528	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]O){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.5870	0.100	2	122.5870	0.010	2	123.7830	1.526	14	123.6171	1.528	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.1990	0.000	1	122.1990	0.000	1	123.7830	1.526	14	123.6171	1.528	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	124.3375	0.995	10	124.3375	0.991	10	123.7830	1.526	14	123.6171	1.528	16	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:3:	3:4:1:	C[6]-4:C[6]-3:N-3:	C-4:C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|O<1>,3|C<4>}	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,4|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(H)	122.4050	0.000	1	122.4050	0.000	1	122.4050	0.000	1	122.7720	0.399	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:3:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2)(CC[6a]CH)(H)	122.0980	0.000	1	122.0980	0.000	1	122.8637	0.477	4	122.7720	0.399	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:3:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CCO)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CCO){1|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]2)(CCHH)(H)	122.4720	0.000	1	122.4720	0.000	1	122.8637	0.477	4	122.7720	0.399	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:3:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[6]2)(CCHH)(H)	123.5420	0.000	1	123.5420	0.000	1	122.8637	0.477	4	122.7720	0.399	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP2	C[6]	C[6]	N	4:3:3:	4:3:3:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){1|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]2)(CH3)(H)	123.3430	0.000	1	123.3430	0.000	1	122.8637	0.477	4	122.7720	0.399	5	120.6326	9.338	7624	120.6363	9.358	7632
762	762	956	0:SP2_SP2_SP3	C[6,6]	C[6,6]	N	4:3:3:	4:3:2:	3:1:1:	C[3x6]-4:C[6,6]-3:N-3:	C[3x6]-4:C[6,6]-3:C-2:	C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN)	N(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH){1|N<2>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]N)(CN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N(C[6,6]C[3x6]C[6,6])(H)2	129.1440	0.000	1	129.1440	0.000	1	129.1440	0.000	1	129.1440	0.000	1	129.1440	0.000	1	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	2:3:3:	4:3:1:	3:4:4:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:S-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(NCS)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(H)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C[6](O[6]C[6,6a])(C[6]C[6]H)(NCS){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(H){4|C<3>}	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	124.8100	0.000	1	124.8100	0.000	1	124.8100	0.000	1	124.8100	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]N)(CN){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N(C[6]C[6]O[6])(H)2	127.2420	0.000	1	127.2420	0.000	1	127.8477	0.965	7	127.8477	0.965	7	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	N(C[6]C[6]O[6])(H)2	128.6603	0.357	3	128.6603	0.128	3	127.8477	0.965	7	127.8477	0.965	7	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	2:3:3:	4:3:2:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	N(C[6]C[6]O[6])(H)2	127.2370	1.016	3	127.2370	1.032	3	127.8477	0.965	7	127.8477	0.965	7	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	2:3:3:	4:3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	N(C[6]C[6]O[6])(H)2	127.4310	0.233	2	127.4310	0.054	2	127.4310	0.054	2	127.4310	0.054	2	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:2:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.0040	0.000	1	119.0040	0.000	1	119.0040	0.000	1	119.0040	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:2:3:	3:3:3:	3:4:3:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C-4:N-3:	C[6](C[6]N[6]N)(N[6]C[6])(NCN)	C[6](C[6]N[6]N)(N[6]C[6]O)(NOO)	N(C[6]C[6]N[6])(CH3)(NOO)	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]O)(NOO){1|C<3>,1|N<3>}	N(C[6]C[6]N[6])(CH3)(NOO)	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:2:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|Ru<9>,1|C<3>}	N(C[6]C[6]N[6])(H)2	121.3685	0.506	2	121.3685	0.256	2	121.3685	0.256	2	121.3685	0.256	2	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:2:3:	3:4:3:	3:4:4:	C[6]-3:O[6]-2:N-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:S-4:C-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(NCS)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]N)	N(C[6]C[6]O[6])(SC[6a]OO)(CH3)	C[6](C[6]C[6a]C[6])(O[6]C[6])(NCS){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]N){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[6]O[6])(SC[6a]OO)(CH3)	123.3900	0.000	1	123.3900	0.000	1	123.3900	0.000	1	123.3900	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:N[6]-2:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]CH)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]N[6]N)(CN){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	123.8320	0.000	1	123.8320	0.000	1	123.8320	0.000	1	127.1859	4.006	7	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	128.7900	0.000	1	128.7900	0.000	1	128.2852	0.538	5	127.1859	4.006	7	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	128.8040	0.000	1	128.8150	0.000	2	128.2852	0.538	5	127.1859	4.006	7	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|O<1>,5|C<3>}	N(C[6]C[6]O[6])(H)2	128.8260	0.000	1	128.8150	0.000	2	128.2852	0.538	5	127.1859	4.006	7	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	127.2670	0.000	1	127.2670	0.000	1	128.2852	0.538	5	127.1859	4.006	7	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	127.7390	0.000	1	127.7390	0.000	1	128.2852	0.538	5	127.1859	4.006	7	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:2:3:	4:3:2:	3:1:1:	C[6]-3:S[6]-2:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN)	N(C[6]C[6]S[6])(H)2	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN){1|S<2>,3|C<3>}	N(C[6]C[6]S[6])(H)2	125.0430	0.000	1	125.0430	0.000	1	125.0430	0.000	1	127.1859	4.006	7	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:2:3:	4:3:3:	3:4:4:	C[6]-3:O[6]-2:N-3:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C-4:S-4:	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]N)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]N){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	126.2700	0.000	1	126.2700	0.000	1	126.2700	0.000	1	126.2700	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:2:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)(C[6]O[6]O)(NCC)	C[6](C[6]C[6]N)(O[6]C[6])(O)	N(C[6]C[6]2)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]H)(C[6]O[6]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(O[6]C[6])(O){1|C<4>,3|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(CCHH)	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:S[6]-2:N-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H)	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H){1|C<3>,1|O<2>}	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H){1|S<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.1150	0.000	1	116.1150	0.000	1	116.1150	0.000	1	116.1150	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N(C[6]C[6]2)(H)2	120.9455	0.074	2	120.9455	0.006	2	122.1866	0.808	36	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(H)2	122.2257	0.769	3	122.2257	0.591	3	122.1866	0.808	36	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	122.2370	0.731	2	122.0620	0.425	17	122.1866	0.808	36	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	122.2656	0.651	9	122.0620	0.425	17	122.1866	0.808	36	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.7090	0.000	1	122.0620	0.425	17	122.1866	0.808	36	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)2	121.5332	0.608	4	122.0620	0.425	17	122.1866	0.808	36	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	N(C[6]C[6]2)(H)2	122.3480	0.000	1	122.0620	0.425	17	122.1866	0.808	36	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	N(C[6]C[6]2)(H)2	123.2627	0.705	8	123.2627	0.497	8	122.1866	0.808	36	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(H)2	121.7090	0.000	1	121.5472	0.320	5	122.1866	0.808	36	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.5068	0.645	4	121.5472	0.320	5	122.1866	0.808	36	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,3|C<3>}	N(C[6]C[6]2)(H)2	121.2560	0.000	1	121.2560	0.000	1	122.1866	0.808	36	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	118.2836	1.158	5	118.2836	1.341	5	117.8047	2.449	6	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(O)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|N<3>}	N(C[6]C[6]2)(H)2	115.4100	0.000	1	115.4100	0.000	1	117.8047	2.449	6	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.4570	0.222	2	120.4570	0.049	2	120.7885	0.381	11	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.8622	0.661	9	120.8622	0.436	9	120.7885	0.381	11	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	121.1390	0.000	1	121.1390	0.000	1	120.8885	0.060	6	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]2)(H)2	120.8345	0.272	4	120.8345	0.074	4	120.8885	0.060	6	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	120.8540	0.000	1	120.8540	0.000	1	120.8885	0.060	6	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	123.7850	0.000	1	123.7850	0.000	1	123.7850	0.000	1	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	122.0120	0.000	1	121.4913	0.250	3	123.8150	1.400	29	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	121.2310	0.305	2	121.4913	0.250	3	123.8150	1.400	29	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	122.9760	0.757	3	122.9760	0.573	3	123.8150	1.400	29	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	123.7170	0.000	1	124.1808	0.806	19	123.8150	1.400	29	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	124.4017	0.759	15	124.1808	0.806	19	123.8150	1.400	29	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	122.5780	0.475	2	124.1808	0.806	19	123.8150	1.400	29	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	124.5370	0.000	1	124.1808	0.806	19	123.8150	1.400	29	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)2	124.0730	0.000	2	124.0730	0.000	2	123.8150	1.400	29	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,1|S<1>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	124.8910	0.000	1	124.8265	0.008	2	123.8150	1.400	29	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	124.7620	0.000	1	124.8265	0.008	2	123.8150	1.400	29	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	119.9780	0.324	2	119.9780	0.105	2	120.4964	0.511	9	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	119.3190	0.000	1	119.3190	0.000	1	120.4964	0.511	9	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.1690	0.000	1	120.6547	0.179	3	120.4964	0.511	9	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.8975	0.070	2	120.6547	0.179	3	120.4964	0.511	9	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	121.3645	0.343	2	121.0763	0.308	3	120.4964	0.511	9	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)2	120.5000	0.000	1	121.0763	0.308	3	120.4964	0.511	9	122.0249	3.478	98	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH)2	C[6](C[6]C[6]H)2(NCC){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2)(CH)2	109.3165	4.543	2	109.3165	20.640	2	109.3165	20.640	2	109.3165	20.640	2	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	129.4200	0.000	1	129.4200	0.000	1	129.4200	0.000	1	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:S-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(S)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H){1|C<3>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(S){1|C<3>,1|N<3>,1|S<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.5930	0.000	1	119.5930	0.000	1	119.5930	0.000	1	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	119.4960	0.239	2	119.4960	0.057	2	118.2621	0.928	31	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])2(H)	117.5700	0.537	2	117.4135	0.211	10	118.2621	0.928	31	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.2860	0.210	4	117.4135	0.211	10	118.2621	0.928	31	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.4627	0.671	4	117.4135	0.211	10	118.2621	0.928	31	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.7650	0.665	4	118.7650	0.442	4	118.2621	0.928	31	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	117.6530	0.563	2	117.6530	0.317	2	118.2621	0.928	31	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.8590	0.743	4	118.8590	0.552	4	118.2621	0.928	31	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	119.7830	0.546	2	119.1718	0.646	4	118.2621	0.928	31	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.5605	0.381	2	119.1718	0.646	4	118.2621	0.928	31	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	116.3710	0.000	1	118.1020	0.944	5	118.2621	0.928	31	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(H)	118.5348	0.103	4	118.1020	0.944	5	118.2621	0.928	31	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NFeC)(H)	120.2950	0.000	1	120.2950	0.000	1	121.1220	0.903	3	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NPdC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NPdC)(H)	122.1600	0.000	1	122.1600	0.000	1	121.1220	0.903	3	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NSnC)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Sn<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NSnC)(H)	120.9110	0.000	1	120.9110	0.000	1	121.1220	0.903	3	118.6422	6.226	37	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	119.8990	0.194	2	119.8990	0.038	2	119.5447	0.326	4	120.5171	0.810	12	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](NC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6](NC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	119.1905	0.663	2	119.1905	0.439	2	119.5447	0.326	4	120.5171	0.810	12	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])3	120.5173	0.008	3	120.5173	0.000	3	120.5173	0.000	3	120.5171	0.810	12	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NCuC)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NCuC)	121.2305	0.264	2	121.2305	0.070	2	121.2948	0.281	5	120.5171	0.810	12	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	121.6375	0.709	2	121.6375	0.503	2	121.2948	0.281	5	120.5171	0.810	12	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdC)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdC)	120.7380	0.000	1	120.7380	0.000	1	121.2948	0.281	5	120.5171	0.810	12	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	119.7178	0.422	5	120.3568	0.581	11	120.8448	0.767	25	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	120.8893	0.521	6	120.3568	0.581	11	120.8448	0.767	25	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	121.2175	0.232	4	121.2175	0.054	4	120.8448	0.767	25	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	119.4740	0.000	1	119.4740	0.000	1	120.8448	0.767	25	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	120.9545	0.370	2	120.9545	0.137	2	120.8448	0.767	25	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CC[6a]HH)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CC[6a]HH)	122.0078	0.518	4	122.0078	0.269	4	120.8448	0.767	25	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CH3)	120.3780	0.000	1	120.3780	0.000	1	120.8448	0.767	25	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Re)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CCHH)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(CCHH)	121.2660	0.659	2	121.2660	0.434	2	120.8448	0.767	25	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	120.6610	0.000	1	120.6610	0.000	1	120.1258	2.131	5	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	119.9920	1.650	4	119.9920	2.722	4	120.1258	2.131	5	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NCN)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NCoC)(CH3)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NCN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Co<7>,2|C<3>}	N(C[6]C[6]N[6])(NCoC)(CH3)	123.4380	0.000	1	123.4380	0.000	1	123.4380	0.000	1	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Ir)(C[6]N[6]H)(NC[6]C)	C[6](N[6]C[6]Pt)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Ir)(C[6]N[6]H)(NC[6]C){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|N<3>}	N(C[6]C[6]N[6])2(CH3)	119.7840	0.000	1	119.7840	0.000	1	120.6700	1.570	2	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Pt)(C[6]N[6]H)(NC[6]C)	C[6](N[6]C[6]Ir)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])2(CH3)	C[6](N[6]C[6]Pt)(C[6]N[6]H)(NC[6]C){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|N<3>}	N(C[6]C[6]N[6])2(CH3)	121.5560	0.000	1	121.5560	0.000	1	120.6700	1.570	2	120.8038	1.182	33	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:H-1:	C[6](C[6]C[6]H)2(NHS)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N(C[6]C[6]2)(SC[6a]OO)(H)	C[6](C[6]C[6]H)2(NHS){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2)(SC[6a]OO)(H)	120.5120	4.267	2	120.5120	18.205	2	120.5120	18.205	2	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6]HH)(H)	122.9745	2.724	2	122.9745	7.423	2	122.9745	7.423	2	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(NH3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(NH3)(H)	125.7600	0.000	1	125.7600	0.000	1	125.7600	0.000	1	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCHH)(H)	124.5030	0.000	1	124.5030	0.000	1	122.1621	3.409	7	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CH3)(H)	120.2760	0.000	1	120.2760	0.000	1	122.1621	3.409	7	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CCHH)(H)	122.6722	1.176	4	122.6722	1.383	4	122.1621	3.409	7	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CHHP)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CHHP)(H)	119.6670	0.000	1	119.6670	0.000	1	122.1621	3.409	7	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2O)(H)	121.4220	0.000	1	121.4220	0.000	1	120.6782	1.962	5	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PCCS)(H)	119.2680	0.000	1	119.2680	0.000	1	120.6782	1.962	5	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2S)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PC[6a]2S)(H)	119.7910	0.000	1	119.7910	0.000	1	120.6782	1.962	5	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PFeCC)(H)	122.7420	0.000	1	122.7420	0.000	1	120.6782	1.962	5	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(PMoCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<7>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(PMoCC)(H)	120.1680	0.000	1	120.1680	0.000	1	120.6782	1.962	5	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Si-4:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(SiC3)(H)	121.5080	0.000	1	121.5080	0.000	1	121.5080	0.000	1	121.8204	4.881	18	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC3)(OAl)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(CC3)(OAl)	125.7507	0.954	3	126.0820	0.554	6	126.0820	0.554	6	126.0820	0.554	6	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC3)(OAl)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC3)(OAl)	126.2715	0.414	2	126.0820	0.554	6	126.0820	0.554	6	126.0820	0.554	6	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC3)(OAl)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC3)(OAl)	126.6970	0.000	1	126.0820	0.554	6	126.0820	0.554	6	126.0820	0.554	6	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	C[5a,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H)	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	121.7970	0.000	1	121.7970	0.000	1	121.7970	0.000	1	121.3270	2.981	14	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CH3)2	121.9160	0.998	2	121.9160	0.997	2	121.0540	3.442	11	121.3270	2.981	14	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CHHP)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CHHP)(CH3)	121.3715	0.612	2	121.3715	0.374	2	121.0540	3.442	11	121.3270	2.981	14	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	121.2430	0.000	1	121.2430	0.000	1	121.0540	3.442	11	121.3270	2.981	14	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	122.4340	0.000	1	122.4340	0.000	1	121.0540	3.442	11	121.3270	2.981	14	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CH3)2	119.7585	1.282	2	119.7585	1.643	2	121.0540	3.442	11	121.3270	2.981	14	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|H<1>,2|C<3>,3|N<3>}	C[6](C[6]N[6]N)2(H){1|Si<4>,2|C<3>}	N(C[6]C[6]N[6])(CH3)2	118.3880	0.000	1	118.6200	0.108	2	121.0540	3.442	11	121.3270	2.981	14	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|P<3>,2|C<3>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|Si<3>,2|C<3>}	N(C[6]C[6]N[6])(CH3)2	118.8520	0.000	1	118.6200	0.108	2	121.0540	3.442	11	121.3270	2.981	14	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](N[6]Ge[6]Ge)(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H)	N(C[6]C[6]N[6])(CH3)2	C[6](N[6]Ge[6]Ge)(C[6]C[6]H)(NCC){2|Cl<1>,2|N<3>}	C[6](C[6]N[6]N)2(H){2|Ge<4>,1|H<1>}	N(C[6]C[6]N[6])(CH3)2	124.5850	0.000	1	124.5850	0.000	1	121.0540	3.442	11	121.3270	2.981	14	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	122.7950	0.000	1	122.7950	0.000	1	122.5935	0.081	2	121.3270	2.981	14	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	122.3920	0.000	1	122.3920	0.000	1	122.5935	0.081	2	121.3270	2.981	14	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	114.1870	0.000	1	114.1870	0.000	1	114.1870	0.000	1	116.2800	8.761	2	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2N)(C[6]C[6]2)(H)	118.3730	0.000	1	118.3730	0.000	1	118.3730	0.000	1	116.2800	8.761	2	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH){1|C<3>,1|N<3>,1|O<1>}	N(C[6]C[6]2)(H)2	124.1830	0.000	1	124.1830	0.000	1	124.1830	0.000	1	120.0732	4.821	11	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	N(C[6]C[6]2)(H)2	118.8534	0.703	8	118.8534	0.494	8	118.8534	0.494	8	120.0732	4.821	11	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)2	122.8975	0.076	2	122.8975	0.006	2	122.8975	0.006	2	120.0732	4.821	11	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N-3:C-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(NCN)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	N(C[6]C[6]N[6])(NPdC)(CCO)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(NCN){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	N(C[6]C[6]N[6])(NPdC)(CCO)	122.9740	1.025	2	122.9740	1.051	2	122.9740	1.051	2	122.9740	1.051	2	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N)	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6]C[6]2N)(C[6]C[6]2)(H)	122.9410	0.000	1	122.9410	0.000	1	122.9410	0.000	1	122.9410	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:3:4:	3:4:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	N(C[6]C[6]N[6])(CC[6a]IrH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC[6a]IrH)(H)	121.8500	0.000	1	121.8500	0.000	1	121.8500	0.000	1	121.8500	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	124.5150	0.000	1	124.5150	0.000	1	124.5150	0.000	1	124.5150	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	4:3:1:	3:4:4:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)(C[6]O[6]O)(NCC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]H)(C[6]O[6]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]HH)(CCHH)	126.3820	0.000	1	126.3820	0.000	1	126.3820	0.000	1	126.3820	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6]C[6]N[6])(H)2	123.7300	0.000	1	123.7300	0.000	1	123.7300	0.000	1	123.7337	0.302	3	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN){1|N<3>,1|O<1>,5|C<3>}	N(C[6]C[6]N[6])(H)2	123.1860	0.000	1	123.1860	0.000	1	123.1860	0.000	1	123.7337	0.302	3	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	4:3:2:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){5|C<3>}	N(C[6]C[6]N[6])(H)2	124.2850	0.000	1	124.2850	0.000	1	124.2850	0.000	1	123.7337	0.302	3	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	4:3:3:	3:1:1:	N[6,6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO)	N(C[6]N[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO){1|C<4>,1|N<3>,3|C<3>}	N(C[6]N[6,6]C[6])(H)2	124.0080	0.000	1	124.0080	0.000	1	124.0080	0.000	1	123.8795	0.033	2	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO){5|C<3>}	N(C[6]C[6]N[6])(H)2	123.7510	0.000	1	123.7510	0.000	1	123.7510	0.000	1	123.8795	0.033	2	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	3:4:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-4:N-3:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	N(C[6]C[6]2)(H)2	125.3850	0.000	1	125.3850	0.000	1	125.3850	0.000	1	125.3850	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]N[6]O)(H)	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	N(C[6]C[6]2)(CC[6a]CH)(H)	123.1410	0.000	1	123.1410	0.000	1	123.1410	0.000	1	123.1410	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:1:	3:4:4:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6a]C[6]Rh)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]2)(CH3)2	C[6](C[6]C[6a]C[6]Rh)(C[6]C[6]H)(NCC){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Rh<5>,1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(CH3)2	122.8640	0.000	1	122.8640	0.000	1	122.8640	0.000	1	122.8640	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	3:3:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH){1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	N(C[6]C[6]2)(H)2	126.9730	0.000	1	126.9730	0.000	1	126.9730	0.000	1	126.9730	0.000	1	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:2:	3:1:1:	C[5,6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]N)(CN){1|H<1>,5|C<3>}	N(C[6]C[5,6]C[6])(H)2	123.0580	0.000	1	123.0580	0.000	1	123.0580	0.000	1	124.2577	1.154	3	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:2:	3:1:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CN){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	N(C[6]C[6]2)(H)2	124.8575	0.385	2	124.8575	0.149	2	124.8575	0.149	2	124.2577	1.154	3	121.5916	9.220	277	121.6188	9.392	278
762	762	956	0:SP2_SP2_SP3	C[6]	C[6]	N	4:3:3:	4:3:4:	3:4:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:S-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	N(C[6]C[6]2)(SCOO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2)(SCOO)(H)	122.4190	0.000	1	122.4190	0.000	1	122.4190	0.000	1	122.4190	0.000	1	121.5916	9.220	277	121.6188	9.392	278