818	542	730	0:SP2_SP2_SP2	C[5]	N[5]	As	3:3:3:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:As-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:P-2:Cl-1:	C[5](N[5]C[6a]C[5])2(AsClP)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]B)	As(C[5]N[5]2)(PC[5])(Cl)	C[5](N[5]C[6a]C[5])2(AsClP){1|B<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	As(C[5]N[5]2)(PC[5])(Cl)	120.1270	0.000	1	120.1270	0.000	1	126.1715	73.072	2	126.1715	73.072	2	126.1715	73.072	2	126.1715	73.072	2
818	542	730	0:SP2_SP2_SP2	C[5]	N[5]	As	3:3:3:	3:3:3:	3:2:1:	N[5]-3:N[5]-3:As-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:P-2:Cl-1:	C[5](N[5]C[6a]C[5])2(AsClP)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	As(C[5]N[5]2)(PC[5])(Cl)	C[5](N[5]C[6a]C[5])2(AsClP){1|B<4>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	As(C[5]N[5]2)(PC[5])(Cl)	132.2160	0.000	1	132.2160	0.000	1	126.1715	73.072	2	126.1715	73.072	2	126.1715	73.072	2	126.1715	73.072	2
818	542	742	0:SP2_SP2_SP3	C[5]	N[5]	B[4]	3:4:4:	3:3:4:	3:2:2:2:	N[5]-3:B[4]-4:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:S[4]-2:S[4]-2:C-2:	C[5](N[5]C[6a]C[5])(B[4]S[4]2C)(C[5]C[5]CC)	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN)	C[5](N[5]C[6a]C[5])(B[4]S[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<2>,2|C<3>,2|H<1>,2|S<2>,4|C<4>}	B[4](C[5]C[5]N[5])(S[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	124.1090	0.000	1	124.1090	0.000	1	124.1090	0.000	1	124.5743	1.583	3	126.9431	2.574	13	126.9431	2.574	13
818	542	742	0:SP2_SP2_SP3	C[5]	N[5]	B[4]	3:4:4:	3:3:4:	3:2:2:2:	N[5]-3:B[4]-4:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:Se[4]-2:Se[4]-2:C-2:	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC)	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN)	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|Se<2>,1|C<2>,2|C<3>,2|H<1>,4|C<4>}	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN){1|C<2>,2|C<3>,4|C<4>}	123.6150	0.000	1	124.8070	2.842	2	124.8070	2.842	2	124.5743	1.583	3	126.9431	2.574	13	126.9431	2.574	13
818	542	742	0:SP2_SP2_SP3	C[5]	N[5]	B[4]	3:4:4:	3:3:4:	3:2:2:2:	N[5]-3:B[4]-4:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:Se[4]-2:Se[4]-2:C-2:	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC)	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN)	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|Se<2>,1|C<2>,2|C<3>,2|H<1>,4|C<4>}	B[4](C[5]C[5]N[5])(Se[4]B[4])2(CN){2|C<3>,5|C<4>}	125.9990	0.000	1	124.8070	2.842	2	124.8070	2.842	2	124.5743	1.583	3	126.9431	2.574	13	126.9431	2.574	13
818	542	742	0:SP2_SP2_SP3	C[5]	N[5]	B[4]	4:3:3:	3:3:4:	3:2:2:4:	B[4]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[4]-2:S[4]-2:C-4:	C[5](B[4]S[4]2C)(N[5]C[5]C)2	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	B[4](C[5]N[5]2)(S[4]B[4])2(CC3)	C[5](B[4]S[4]2C)(N[5]C[5]C)2{1|B<4>,2|H<1>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	B[4](C[5]N[5]2)(S[4]B[4])2(CC3){3|C<3>,3|C<4>}	127.6380	1.222	2	127.6380	1.493	2	127.6380	1.493	2	127.6537	0.649	10	126.9431	2.574	13	126.9431	2.574	13
818	542	742	0:SP2_SP2_SP3	C[5]	N[5]	B[4]	4:3:3:	3:3:4:	3:2:2:4:	B[4]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	C[5](B[4]Se[4]2C)(N[5]C[5]C)2	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	C[5](B[4]Se[4]2C)(N[5]C[5]C)2{1|B<3>,2|H<1>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){1|N<3>,2|C<3>,2|C<4>}	127.8785	1.487	2	127.6576	0.622	8	127.6576	0.622	8	127.6537	0.649	10	126.9431	2.574	13	126.9431	2.574	13
818	542	742	0:SP2_SP2_SP3	C[5]	N[5]	B[4]	4:3:3:	3:3:4:	3:2:2:4:	B[4]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	C[5](B[4]Se[4]2C)(N[5]C[5]C)2	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	C[5](B[4]Se[4]2C)(N[5]C[5]C)2{1|B<3>,2|H<1>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){2|C<4>,3|C<3>}	127.3845	0.497	2	127.6576	0.622	8	127.6576	0.622	8	127.6537	0.649	10	126.9431	2.574	13	126.9431	2.574	13
818	542	742	0:SP2_SP2_SP3	C[5]	N[5]	B[4]	4:3:3:	3:3:4:	3:2:2:4:	B[4]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	C[5](B[4]Se[4]2C)(N[5]C[5]C)2	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	C[5](B[4]Se[4]2C)(N[5]C[5]C)2{1|B<4>,2|H<1>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){1|C<2>,2|C<4>,3|C<3>}	128.0545	0.487	2	127.6576	0.622	8	127.6576	0.622	8	127.6537	0.649	10	126.9431	2.574	13	126.9431	2.574	13
818	542	742	0:SP2_SP2_SP3	C[5]	N[5]	B[4]	4:3:3:	3:3:4:	3:2:2:4:	B[4]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Se[4]-2:Se[4]-2:C-4:	C[5](B[4]Se[4]2C)(N[5]C[5]C)2	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3)	C[5](B[4]Se[4]2C)(N[5]C[5]C)2{1|B<4>,2|H<1>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	B[4](C[5]N[5]2)(Se[4]B[4])2(CC3){3|C<3>,3|C<4>}	127.3130	0.925	2	127.6576	0.622	8	127.6576	0.622	8	127.6537	0.649	10	126.9431	2.574	13	126.9431	2.574	13
818	542	762	0:SP2_SP2_SP2	C[5,6,6]	N[5]	C[6,6]	4:3:3:	3:3:4:	3:3:3:	C[5,3x6]-4:C[6,6]-3:N[5]-3:	C[5,6,6]-3:C[5,6a]-3:C-4:	C[5,6,6]-3:N[3x6]-3:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C)	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C){2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	135.9700	0.000	1	135.9700	0.000	1	135.9700	0.000	1	135.9700	0.000	1	135.9700	0.000	1	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5,5]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:N[5,5]-3:C[6]-3:	C[5,6]-3:N[5,5]-3:B[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]B[5])(N[5,5]N[5,5]B[5])(C[6]C[6]H)	N[5,5](C[5,6]N[5,6]C[6])(N[5,5]C[5,6]B[5])(B[5]N[5,6]FF)	C[6](C[5,6]N[5,5]N[5,6])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]B[5])(N[5,5]N[5,5]B[5])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|F<1>}	N[5,5](C[5,6]N[5,6]C[6])(N[5,5]C[5,6]B[5])(B[5]N[5,6]FF){1|H<1>,2|F<1>,4|C<3>}	C[6](C[5,6]N[5,5]N[5,6])(C[6]C[6,6a]H)(H){1|N<3>,2|B<4>,2|C<3>}	125.8940	0.000	1	125.8940	0.000	1	125.8940	0.000	1	125.8940	0.000	1	123.9993	2.731	3	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5,5]	C[6]	3:3:3:	3:3:6:	3:3:1:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:Nb[5,5]-6:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5]Nb[5,5]C[5,6])(C[5,6]C[6]P[5])(C[6]C[6]H)	N[5,5](C[5,6]C[5,6]C[6])2(Nb[5,5]P[5]2Cl3)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H)(H)	C[5,6](N[5,5]Nb[5,5]C[5,6])(C[5,6]C[6]P[5])(C[6]C[6]H){3|Cl<1>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,6]C[5,6]C[6])2(Nb[5,5]P[5]2Cl3){2|H<1>,4|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H)(H){1|Nb<6>,1|P<4>,3|C<3>}	123.2480	0.000	1	123.2480	0.000	1	123.2480	0.000	1	123.2480	0.000	1	123.9993	2.731	3	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5,5]	C[6]	3:3:3:	4:3:4:	3:3:1:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:O-1:	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O){1|C<3>,1|N<3>,3|C<4>}	122.8560	0.000	1	122.8560	0.000	1	122.8560	0.000	1	122.8560	0.000	1	123.9993	2.731	3	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H)	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>,4|F<1>}	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>,4|F<1>}	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H){1|H<1>,1|P<6>,3|C<3>}	124.6410	0.000	1	126.2497	1.941	3	126.2497	1.941	3	126.7998	2.504	4	126.5156	2.282	5	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H)	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>}	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H){1|H<1>,1|P<2>,3|C<3>}	127.0540	0.000	2	126.2497	1.941	3	126.2497	1.941	3	126.7998	2.504	4	126.5156	2.282	5	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])	C[6](C[5,6]N[5,6]2)(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])(C[6]C[6]H){1|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5]){3|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]2)(C[6]C[6,6a]H)(H){1|P<2>,4|C<3>}	128.4500	0.000	1	128.4500	0.000	1	128.4500	0.000	1	126.7998	2.504	4	126.5156	2.282	5	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5,6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[6]S[5])(C[6]C[6,6a]O)	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[6]S[5])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	125.3790	0.000	1	125.3790	0.000	1	125.3790	0.000	1	125.3790	0.000	1	126.5156	2.282	5	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-2:H-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|C<2>,1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	133.5300	0.000	1	133.5300	0.000	1	133.5300	0.000	1	133.5300	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[6]-2:N-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NCH)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Pt<6>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Pt<6>,1|N<2>,2|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NCH){1|C<3>,2|H<1>,2|N<3>}	134.5110	0.000	1	134.5110	0.000	1	134.1517	0.817	12	134.1517	0.817	12	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[6]-2:N-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Co<6>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Co<6>,1|N<2>,2|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,1|H<1>,3|N<3>}	134.5120	0.337	2	134.1190	0.885	11	134.1517	0.817	12	134.1517	0.817	12	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[6]-2:N-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){2|Co<6>,1|C<3>,1|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Co<6>,1|N<2>,2|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	133.4723	0.267	4	134.1190	0.885	11	134.1517	0.817	12	134.1517	0.817	12	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[6]-2:N-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){2|Cu<5>,1|C<3>,1|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Cu<5>,1|N<2>,2|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	134.6848	1.297	4	134.1190	0.885	11	134.1517	0.817	12	134.1517	0.817	12	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[6]-2:N-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){2|Ni<6>,1|C<3>,1|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ni<6>,1|N<2>,2|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	133.6570	0.000	1	134.1190	0.885	11	134.1517	0.817	12	134.1517	0.817	12	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]H)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|I<1>}	127.1320	0.000	1	127.1320	0.000	1	130.8947	6.361	4	129.8948	11.710	11	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H){1|C<2>,1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	132.3860	0.000	1	132.3860	0.000	1	130.8947	6.361	4	129.8948	11.710	11	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<2>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	131.7840	0.000	1	131.7840	0.000	1	130.8947	6.361	4	129.8948	11.710	11	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]S)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|Cu<4>,1|C<2>,1|S<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]S)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	132.2770	0.000	1	132.2770	0.000	1	130.8947	6.361	4	129.8948	11.710	11	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[6]-3:Cl-1:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Cl<1>,1|C<4>,2|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl){1|C<3>,2|H<1>,2|N<3>}	134.7130	0.000	1	134.7130	0.000	1	134.7130	0.000	1	129.8948	11.710	11	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[6]-3:O-1:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]H){2|Ru<6>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|O<1>,2|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	127.6860	4.624	2	127.6860	21.386	2	127.6860	21.386	2	129.8948	11.710	11	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|N<3>,2|H<1>,4|C<3>}	123.8040	0.000	1	123.8040	0.000	1	123.8040	0.000	1	129.8948	11.710	11	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	131.3920	0.000	1	130.4583	0.806	3	130.4583	0.806	3	129.8948	11.710	11	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	129.6010	0.000	1	130.4583	0.806	3	130.4583	0.806	3	129.8948	11.710	11	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	130.3820	0.000	1	130.4583	0.806	3	130.4583	0.806	3	129.8948	11.710	11	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-3:O-2:	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6]H)(C[6]C[6]O)	N[5](C[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6])(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC)	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	128.3080	0.000	1	128.3080	0.000	1	128.3080	0.000	1	127.5395	1.181	2	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[5,6]-3:C-2:	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(C[6]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]N[5])(CN)	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(C[6]C[5,6]C){1|N<3>,2|F<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(H){1|B<4>,1|C<2>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]N[5])(CN){1|B<4>,1|H<1>,5|C<3>}	126.7710	0.000	1	126.7710	0.000	1	126.7710	0.000	1	127.5395	1.181	2	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[6]-3:N-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Co<6>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Co<6>,1|N<2>,2|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	133.8320	0.000	1	133.4970	0.224	2	133.4970	0.224	2	133.4970	0.224	2	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[6]-3:N-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Pt<4>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Pt<4>,1|N<2>,2|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	133.1620	0.000	1	133.4970	0.224	2	133.4970	0.224	2	133.4970	0.224	2	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	4:3:2:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[6]-4:C[5,6]-3:C-2:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	130.0170	0.000	2	130.0170	0.000	2	129.9757	0.005	3	129.9757	0.005	3	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	4:3:2:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[6]-4:C[5,6]-3:C-2:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	129.8930	0.000	1	129.8930	0.000	1	129.9757	0.005	3	129.9757	0.005	3	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:1:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[6]-4:C[5,6]-3:C-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(COO)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(COO){1|C<4>,1|H<1>,5|C<3>}	129.2630	0.000	1	129.2630	0.000	1	129.2630	0.000	1	129.2630	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-2:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]){1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	129.7500	1.372	2	129.7500	1.882	2	129.7500	1.882	2	129.7500	1.882	2	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[3,6]O)(H)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[3,6]O)(H){1|O<2>,2|C<4>,3|C<3>}	128.3250	0.000	1	128.3250	0.000	1	128.4090	0.014	2	128.7822	0.841	15	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	128.4930	0.000	1	128.4930	0.000	1	128.4090	0.014	2	128.7822	0.841	15	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6,6a]O){2|C<4>,2|O<1>,4|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	125.8400	0.000	1	125.8400	0.000	1	128.8396	0.953	13	128.7822	0.841	15	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Cr<6>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Cr){1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	128.7620	0.526	2	128.7620	0.277	2	128.8396	0.953	13	128.7822	0.841	15	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	128.8120	0.000	1	128.8120	0.000	1	128.8396	0.953	13	128.7822	0.841	15	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ir<4>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ir){1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	128.7140	0.376	2	128.8317	0.112	3	128.8396	0.953	13	128.7822	0.841	15	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ir<6>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ir){1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	129.0670	0.000	1	128.8317	0.112	3	128.8396	0.953	13	128.7822	0.841	15	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ni<7>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ni){1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	129.2350	0.281	2	129.2350	0.079	2	128.8396	0.953	13	128.7822	0.841	15	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Pd<4>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Pd){1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	129.5730	0.000	1	129.5730	0.000	1	128.8396	0.953	13	128.7822	0.841	15	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Pt<4>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Pt){1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	129.5680	0.000	1	129.5680	0.000	1	128.8396	0.953	13	128.7822	0.841	15	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]W)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|O<1>,1|W<6>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]W){1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	129.3165	0.078	2	129.3165	0.006	2	128.8396	0.953	13	128.7822	0.841	15	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(N[5]C[6a]C[5])	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(N[5]C[6a]C[5]){1|H<1>,2|C<4>,2|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	129.1930	0.000	1	129.1930	0.000	1	129.1930	0.000	1	129.1930	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H){1|O<1>,4|C<3>}	134.0283	0.669	3	134.3661	0.186	9	134.6074	0.747	10	134.6074	0.747	10	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H){2|H<1>,4|C<3>}	134.5350	0.125	6	134.3661	0.186	9	134.6074	0.747	10	134.6074	0.747	10	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[5a,6]CC)(H)	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[5a,6]CC)(H){5|C<3>}	136.7790	0.000	1	136.7790	0.000	1	134.6074	0.747	10	134.6074	0.747	10	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]Cl)(CH3)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]Cl)(CH3){1|C<2>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	125.4840	0.000	1	125.4840	0.000	1	125.4840	0.000	1	129.0213	16.727	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:N[6]-3:O-1:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(CH3)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]C){2|Pt<4>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(CH3){1|Pt<4>,1|O<1>,2|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|N<3>}	134.2870	0.000	1	134.2870	0.000	1	134.2870	0.000	1	129.0213	16.727	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	126.1020	0.000	1	126.1020	0.000	1	126.1020	0.000	1	129.0213	16.727	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:N[5]-3:C-4:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(N[5]N[5]C)	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(N[5]N[5]C){1|Rh<6>,1|C<4>,3|C<3>}	N[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	130.2120	0.000	1	130.2120	0.000	1	130.2120	0.000	1	129.0213	16.727	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3){4|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	131.3550	0.000	1	131.3550	0.000	1	131.3550	0.000	1	131.3550	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	129.8610	0.620	3	129.8610	0.384	3	129.8610	0.384	3	128.2185	11.047	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:N[6]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]H){1|C<4>,7|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(O){3|C<4>,3|H<1>}	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	128.2185	11.047	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-3:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){2|C<3>,6|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<4>}	127.3880	0.000	1	127.3880	0.000	1	127.3880	0.000	1	127.3880	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	3:4:2:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C-2:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CN)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,2|C<3>,6|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<2>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CN){1|H<1>,2|C<2>,2|C<3>,3|C<4>}	127.7220	0.000	1	127.7220	0.000	1	127.7220	0.000	1	127.7220	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[5a]C[6]H)(CCO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,5|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[5a]C[6]H)(CCO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	129.3340	0.000	1	129.3340	0.000	1	128.4108	4.182	8	128.6519	4.182	9	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,7|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|N<3>,2|H<1>,3|C<4>}	127.6570	0.000	1	129.6430	3.070	3	128.4108	4.182	8	128.6519	4.182	9	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	130.3020	0.000	1	129.6430	3.070	3	128.4108	4.182	8	128.6519	4.182	9	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|H<1>,3|C<4>}	130.9700	0.000	1	129.6430	3.070	3	128.4108	4.182	8	128.6519	4.182	9	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|C<4>,2|H<1>,4|C<3>}	130.0510	0.000	1	127.2558	4.130	4	128.4108	4.182	8	128.6519	4.182	9	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|H<1>,3|C<3>,3|C<4>}	125.7820	0.457	2	127.2558	4.130	4	128.4108	4.182	8	128.6519	4.182	9	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	127.4080	0.000	1	127.2558	4.130	4	128.4108	4.182	8	128.6519	4.182	9	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[6]-4:N-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO){1|C<3>,2|H<1>,3|C<4>}	130.5810	0.000	1	130.5810	0.000	1	130.5810	0.000	1	128.6519	4.182	9	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]N)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]N)(N[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	130.8398	0.965	4	130.8398	0.932	4	130.3318	1.989	5	129.7299	2.383	7	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6]N)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6]N)(N[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[5,6]N[5,6]N[5])(NOO){1|H<1>,3|C<3>,4|C<4>}	128.3000	0.000	1	128.3000	0.000	1	130.3318	1.989	5	129.7299	2.383	7	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:1:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-3:C-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H){3|C<3>,5|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	128.2250	0.000	2	128.2250	0.000	2	128.2250	0.000	2	129.7299	2.383	7	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CCO)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CCO){3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){2|C<3>,3|C<4>}	131.1320	0.000	1	131.1320	0.000	1	131.1320	0.000	1	131.1320	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6]C[6]O[5])(N[5]C[5]C[6])(C[6]C[6]O)	N[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(C[5]O[5]N)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5])(N[5]C[5]C[6])(C[6]C[6]O){1|N<2>,3|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(C[5]O[5]N){1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,4|C<4>}	131.4440	0.000	1	131.4440	0.000	1	131.4440	0.000	1	131.4440	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|O<1>,2|C<3>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	127.5660	0.000	1	127.5660	0.000	1	127.5660	0.000	1	127.2955	0.146	2	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5,6,6]C[6])(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]HH)(CH3)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[6]C[6]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]HH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|F<1>,2|C<4>}	127.0250	0.000	1	127.0250	0.000	1	127.0250	0.000	1	127.2955	0.146	2	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-3:N-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(NOO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(NOO){2|C<3>,3|C<4>}	133.6220	0.000	1	133.6220	0.000	1	133.6220	0.000	1	133.6220	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-4:N-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<4>,1|O<2>,7|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO){2|H<1>,4|C<4>}	130.2480	0.000	1	130.2480	0.000	1	130.2480	0.000	1	130.2480	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO){1|C<3>,2|H<1>,5|C<4>}	133.0410	0.000	1	133.0410	0.000	1	133.0410	0.000	1	131.3075	2.046	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[6,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){4|H<1>,5|C<4>}	129.9500	0.000	1	129.9500	0.000	1	130.7297	1.065	3	131.3075	2.046	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[6,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){1|C<3>,2|H<1>,5|C<4>}	130.3390	0.000	1	130.3390	0.000	1	130.7297	1.065	3	131.3075	2.046	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[6,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[6](C[6,6]O[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|O<2>,2|C<4>,6|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){2|H<1>,5|C<4>}	131.9000	0.000	1	131.9000	0.000	1	130.7297	1.065	3	131.3075	2.046	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5]-3:C[5,6]-3:C[6]-3:	In[5,5]-5:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5]In[5,5]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]H)	N[5](In[5,5]N[5]O[5]2I)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)(H)	C[5,6](N[5]In[5,5]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]H){1|I<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	N[5](In[5,5]N[5]O[5]2I)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)(H){1|In<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.7215	0.571	4	123.7215	0.326	4	123.7215	0.326	4	123.7215	0.326	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6]H)(C[6]C[6]C)	N[5](C[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	128.4870	0.000	1	128.4870	0.000	1	128.4870	0.000	1	129.4121	1.153	18	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(CHO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(CHO){3|C<3>,3|C<4>,3|H<1>}	128.7030	0.000	1	128.7030	0.000	1	129.0466	1.420	7	129.4121	1.153	18	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){3|C<3>,3|C<4>,4|H<1>}	128.6440	0.000	1	129.1038	1.676	6	129.0466	1.420	7	129.4121	1.153	18	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){2|C<3>,4|C<4>,4|H<1>}	128.7405	2.587	2	129.1038	1.676	6	129.0466	1.420	7	129.4121	1.153	18	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	128.8030	0.000	1	129.1038	1.676	6	129.0466	1.420	7	129.4121	1.153	18	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){3|C<3>,3|C<4>,3|H<1>}	129.8475	0.118	2	129.1038	1.676	6	129.0466	1.420	7	129.4121	1.153	18	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[5,6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[5,6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	129.2320	0.168	4	129.2320	0.028	4	129.7604	0.897	10	129.4121	1.153	18	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	130.3660	1.418	2	130.4556	0.650	5	129.7604	0.897	10	129.4121	1.153	18	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,3|C<3>,3|C<4>}	129.9130	0.000	1	130.4556	0.650	5	129.7604	0.897	10	129.4121	1.153	18	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	130.8165	0.128	2	130.4556	0.650	5	129.7604	0.897	10	129.4121	1.153	18	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(COO)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(COO){1|H<1>,2|C<4>,3|C<3>}	128.3980	0.000	1	128.3980	0.000	1	129.7604	0.897	10	129.4121	1.153	18	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[6,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	130.2520	0.000	1	130.2520	0.000	1	130.2520	0.000	1	130.2520	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	128.0070	0.000	1	128.0070	0.000	1	128.4225	0.345	2	130.0607	8.223	3	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	128.8380	0.000	1	128.8380	0.000	1	128.4225	0.345	2	130.0607	8.223	3	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,6|C<3>}	133.3370	0.000	1	133.3370	0.000	1	133.3370	0.000	1	130.0607	8.223	3	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:P-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PNNO)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PNNO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	129.9665	0.876	2	129.9665	0.768	2	129.9665	0.768	2	129.9665	0.768	2	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:4:	3:3:3:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(N[5]C[5]C){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,4|C<4>}	128.9450	0.000	1	128.9450	0.000	1	128.9450	0.000	1	128.9450	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[5,5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(CH3)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(CH3){1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	129.0520	0.000	1	129.0520	0.000	1	129.0520	0.000	1	127.4352	1.399	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:S-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(SC[6a]OO)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	126.2280	0.000	1	126.2280	0.000	1	126.2280	0.000	1	127.4352	1.399	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>}	127.3740	0.000	1	127.3740	0.000	1	127.3740	0.000	1	127.4352	1.399	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:S-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]H)(N[5]C[5]S)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6a]CH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]H)(N[5]C[5]S){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(SC[6a]OO){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	127.0870	0.000	1	127.0870	0.000	1	127.0870	0.000	1	127.4352	1.399	4	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[4,5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[4,5,6]C[6,6a]C[4,5]C[4])(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]C[4,5,6]C[6])(C[5]C[4,5]HH)(COO)	C[6](C[5,6]C[4,5,6]N[5])(C[6]C[6,6a]O)(H)	C[5,6](C[4,5,6]C[6,6a]C[4,5]C[4])(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5](C[5,6]C[4,5,6]C[6])(C[5]C[4,5]HH)(COO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[4,5,6]N[5])(C[6]C[6,6a]O)(H){3|C<3>,3|C<4>}	129.5330	0.000	1	129.5330	0.000	1	129.5330	0.000	1	129.5330	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:4:4:	3:3:1:	C[5,5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:S-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S)	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(SC[6a]OO)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]N)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]N)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	128.3240	0.000	1	128.3240	0.000	1	128.3240	0.000	1	128.3240	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:4:4:	3:3:3:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]2H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]2H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(COO){3|H<1>,4|C<4>}	129.7800	0.000	1	129.7800	0.000	1	129.7800	0.000	1	129.7800	0.000	1	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5,6]	N[5]	C[6]	4:3:3:	3:4:4:	3:4:1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:S-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]H)(N[5]C[5]S)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|S<4>,6|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H){1|N<3>,1|S<4>,2|H<1>,3|C<4>}	128.8255	0.224	2	128.8255	0.050	2	128.8255	0.050	2	128.8255	0.050	2	130.0464	8.219	135	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5,5]	C[6]	3:3:3:	3:3:2:	3:3:3:	N[5,5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5,5]-3:N[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,5]C[5,5]N[5])(C[6]C[6]N[6])(N[5]N[5]Zn)	N[5,5](C[5]C[6]N[5])(C[5,5]N[5]2)(N[5]C[5])	C[6](C[5]N[5,5]N[5])(N[6]C[6]Zn)(C[6]N[6]H)	C[5](N[5,5]C[5,5]N[5])(C[6]C[6]N[6])(N[5]N[5]Zn){1|Zn<6>,1|H<1>,2|C<3>,2|N<3>}	N[5,5](C[5]C[6]N[5])(C[5,5]N[5]2)(N[5]C[5]){2|Zn<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5]N[5,5]N[5])(N[6]C[6]Zn)(C[6]N[6]H){1|Zn<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	127.3100	0.000	1	127.3100	0.000	1	127.3100	0.000	1	127.3100	0.000	1	127.3100	0.000	1	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cd)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cd){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Cd<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Cd)(C[6]C[6]H){2|H<1>,4|C<3>}	130.5500	1.060	3	130.5633	0.750	4	130.9894	1.105	17	130.9894	1.105	17	130.9894	1.105	17	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cd)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cd){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Cd<5>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	130.6030	0.000	1	130.5633	0.750	4	130.9894	1.105	17	130.9894	1.105	17	130.9894	1.105	17	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	132.9030	0.000	1	130.7957	4.084	3	130.9894	1.105	17	130.9894	1.105	17	130.9894	1.105	17	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	129.7420	1.228	2	130.7957	4.084	3	130.9894	1.105	17	130.9894	1.105	17	130.9894	1.105	17	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	132.0830	0.181	2	131.1540	1.049	5	130.9894	1.105	17	130.9894	1.105	17	130.9894	1.105	17	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	130.1820	0.735	2	131.1540	1.049	5	130.9894	1.105	17	130.9894	1.105	17	130.9894	1.105	17	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe){2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	131.2400	0.000	1	131.1540	1.049	5	130.9894	1.105	17	130.9894	1.105	17	130.9894	1.105	17	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Zn)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Zn){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Zn<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	131.6200	0.000	1	131.4992	0.239	4	130.9894	1.105	17	130.9894	1.105	17	130.9894	1.105	17	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Zn)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Zn){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Zn<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	131.4590	0.591	3	131.4992	0.239	4	130.9894	1.105	17	130.9894	1.105	17	130.9894	1.105	17	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Fe)	N[5,6](C[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Fe){2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	130.4130	0.000	1	130.4130	0.000	1	130.9894	1.105	17	130.9894	1.105	17	130.9894	1.105	17	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:2:	3:2:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-2:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]N[5]H)(N[5]N[5])	N[5](C[5]C[6]N[5])(N[5]N[5])(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](C[6]C[6]2)(N[5]N[5]H)(N[5]N[5]){1|Co<6>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(N[5]N[5])(H){1|Co<6>,2|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<2>,3|N<3>}	125.8670	0.000	1	125.8670	0.000	1	125.8670	0.000	1	125.8670	0.000	1	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[6]-3:N[6]-2:	C[5](C[6]C[6]N[6])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6]N[5])2(NHH)	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6])	C[5](C[6]C[6]N[6])(N[5]C[5]N)(N[5]N[5]){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[6]N[5])2(NHH){1|Mn<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	128.5260	0.000	1	128.5260	0.000	1	128.5260	0.000	1	128.5260	0.000	1	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6]N[5])(C[5]N[5]S)(NHH)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|N<3>,1|S<1>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]N[5]S)(NHH){1|H<1>,2|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|H<1>,2|N<3>}	127.7920	0.000	1	127.7920	0.000	1	128.1070	0.198	2	127.5270	1.108	3	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[6]N[5])(C[5]N[5]S)(NHH)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]N[5]S)(NHH){1|H<1>,2|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,3|N<3>}	128.4220	0.000	1	128.4220	0.000	1	128.1070	0.198	2	127.5270	1.108	3	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-2:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[5]C[6])(C[6]C[6]2)(N[5]N[5])	N[5](C[5]C[6]N[5])(C[5]N[5]Pt)(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](N[5]C[5]C[6])(C[6]C[6]2)(N[5]N[5]){1|Pt<4>,1|C<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6]N[5])(C[5]N[5]Pt)(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,3|C<3>}	126.3670	0.000	1	126.3670	0.000	1	126.3670	0.000	1	127.5270	1.108	3	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:2:	4:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[5,6]C[6a])(C[6]C[6]2)(N[5]O[5])	N[5](C[5,6]C[6]2O[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](N[5]C[5,6]C[6a])(C[6]C[6]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6]C[6]2O[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<4>,5|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.5610	0.000	1	122.5610	0.000	1	122.5610	0.000	1	122.5610	0.000	1	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:1:	3:3:2:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[6]-3:C[5]-3:N[6]-2:	C[5](N[5]C[5]Cu)(C[6]N[6]2)(N[5]N[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(N[6]C[6])	C[5](N[5]C[5]Cu)(C[6]N[6]2)(N[5]N[5]H){1|C<4>,2|C<3>}	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Cu<4>,1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(N[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	128.4130	0.000	1	128.4130	0.000	1	128.4130	0.000	1	128.4130	0.000	1	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]N[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]N[5]H){1|H<1>,3|C<3>}	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Co<6>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	128.8325	0.275	2	128.8325	0.076	2	129.0222	1.399	9	129.0222	1.399	9	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	127.8515	0.988	2	127.8515	0.976	2	129.0222	1.399	9	129.0222	1.399	9	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	127.4390	0.000	1	127.4390	0.000	1	129.0222	1.399	9	129.0222	1.399	9	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5]H)	N[5](C[5]C[6]N[5])(N[5]C[5])(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5]H){1|H<1>,3|C<3>}	N[5](C[5]C[6]N[5])(N[5]C[5])(H){1|Zn<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	129.7260	0.000	1	129.7260	0.000	1	129.0222	1.399	9	129.0222	1.399	9	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]H)	N[5](C[5]C[6]N[5])(N[5]N[5])(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]H){1|H<1>,2|C<3>}	N[5](C[5]C[6]N[5])(N[5]N[5])(H){1|Cu<4>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	130.2223	0.059	3	130.2223	0.004	3	129.0222	1.399	9	129.0222	1.399	9	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:2:2:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6]-2:C[6]-2:	C[5](C[5]N[5]Ir)(C[6]C[6]2)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[5](C[5]N[5]Ir)(C[6]C[6]2)(N[5]N[5]C){1|C<4>,2|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<4>,2|C<2>}	C[6](C[5]C[5]N[5])(C[6]C[6])2{1|Ir<8>,1|C<2>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	118.3753	1.200	3	118.3753	1.440	3	118.3753	1.440	3	118.3753	1.440	3	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,3|C<4>}	128.0020	0.000	1	128.0020	0.000	1	128.0020	0.000	1	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6]-3:N[6]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C)	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C){1|Ir<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	122.5540	0.055	2	122.5540	0.003	2	131.1883	99.402	4	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[6]-3:N[6]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C)	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){2|C<3>,2|C<4>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	139.8225	0.023	2	139.8225	0.001	2	131.1883	99.402	4	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	134.1640	0.000	1	133.6507	0.203	3	131.3554	13.822	16	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	133.3940	0.100	2	133.6507	0.203	3	131.3554	13.822	16	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Ni)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ni)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	133.3970	0.000	1	133.3970	0.000	1	131.3554	13.822	16	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	131.9775	0.718	2	128.4090	23.197	6	131.3554	13.822	16	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	130.9905	0.402	2	128.4090	23.197	6	131.3554	13.822	16	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C){1|Pd<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Pd<4>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	122.2590	0.931	2	128.4090	23.197	6	131.3554	13.822	16	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Re)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]N[5]Re)(N[5]N[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Re<6>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	131.5310	0.000	1	131.5310	0.000	1	131.3554	13.822	16	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	131.6910	0.000	1	133.0704	1.036	5	131.3554	13.822	16	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	133.1370	0.646	3	133.0704	1.036	5	131.3554	13.822	16	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|Ru<9>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	134.2500	0.000	1	133.0704	1.036	5	131.3554	13.822	16	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]N[5]C)	N[5](C[5]C[6]N[5])(N[5]C[5])(CCHH)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6]N[5])(N[5]C[5])(CCHH){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	126.9040	0.000	1	126.9040	0.000	1	130.1770	21.425	2	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[6]N[5])(N[5]N[5])(CH3)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]N[5]C){1|H<1>,2|C<3>}	N[5](C[5]C[6]N[5])(N[5]N[5])(CH3){1|Ir<6>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	133.4500	0.000	1	133.4500	0.000	1	130.1770	21.425	2	131.0780	24.515	23	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6]-3:N[6]-2:	C[5](C[6]C[6]N[6])(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]N[6])	C[5](C[6]C[6]N[6])(C[5]C[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5]C[6])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]N[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	122.5540	0.000	1	122.5540	0.000	1	122.5540	0.000	1	125.4290	7.505	3	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:N[6]-2:	C[5](N[5]C[5]Mn)(C[6]N[6]2)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[6](N[6]N[6]Mn)(C[5]N[5]2)(N[6]N[6])	C[5](N[5]C[5]Mn)(C[6]N[6]2)(N[5]C[5]H){2|H<1>,2|N<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]N[6]Mn)(C[5]N[5]2)(N[6]N[6]){1|H<1>,2|C<4>,3|C<3>}	125.7240	0.000	1	125.7240	0.000	1	126.8665	2.611	2	125.4290	7.505	3	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:N[6]-2:	C[5](N[5]C[5]Ni)(C[6]N[6]2)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[6](N[6]N[6]Ni)(C[5]N[5]2)(N[6]N[6])	C[5](N[5]C[5]Ni)(C[6]N[6]2)(N[5]C[5]H){2|H<1>,2|N<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Ni<6>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]N[6]Ni)(C[5]N[5]2)(N[6]N[6]){1|H<1>,2|C<4>,3|C<3>}	128.0090	0.000	1	128.0090	0.000	1	126.8665	2.611	2	125.4290	7.505	3	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[6]-3:N[6]-3:	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H)	N[5](C[5]C[5]C[6])(C[5]N[5]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H){2|C<4>,4|H<1>}	N[5](C[5]C[5]C[6])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|N<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	122.2430	0.000	1	122.8597	0.233	4	122.8597	0.233	4	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[6]-3:N[6]-3:	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H)	N[5](C[5]C[5]C[6])(C[5]N[5]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H){2|C<4>,4|H<1>}	N[5](C[5]C[5]C[6])(C[5]N[5]H)(H){1|H<1>,3|N<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	123.0653	0.311	3	122.8597	0.233	4	122.8597	0.233	4	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5,6a]H)2{2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	125.4655	0.462	2	125.4655	0.213	2	125.4655	0.213	2	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5a,6]-3:N[6]-3:C[5]-3:	C[5](C[6]C[5a,6]N[6])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Ir)(C[5]N[5]2)	C[5](C[6]C[5a,6]N[6])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H){1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Ir)(C[5]N[5]2){3|H<1>,5|C<3>}	129.5420	0.000	1	129.5420	0.000	1	129.5420	0.000	1	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	129.8140	0.000	1	129.8140	0.000	1	128.6248	3.278	19	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	127.6100	0.000	1	127.6100	0.000	1	128.6248	3.278	19	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]H){1|H<1>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(H){1|Ir<6>,1|N<3>,4|C<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	128.6270	0.000	1	128.6270	0.000	1	128.6248	3.278	19	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	127.8630	0.000	1	127.8630	0.000	1	128.6248	3.278	19	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	127.8432	0.442	6	127.8432	0.195	6	128.6248	3.278	19	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	130.0573	1.590	4	130.0573	2.529	4	128.6248	3.278	19	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Co<6>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	131.1580	0.000	1	131.7270	0.648	2	128.6248	3.278	19	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Co<6>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	132.2960	0.000	1	131.7270	0.648	2	128.6248	3.278	19	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]H){1|Cu<5>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6]N[5])(C[5]N[5]C)(H){2|Cu<5>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	126.4053	0.657	3	126.4053	0.432	3	128.6248	3.278	19	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cd<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	125.5670	0.000	1	125.6690	1.669	6	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cd<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	126.2290	0.914	4	125.6690	1.669	6	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cd<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	123.5310	0.000	1	125.6690	1.669	6	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	126.9730	0.000	1	127.1932	1.008	10	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	127.5957	0.235	3	127.1932	1.008	10	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	127.2383	1.733	3	127.1932	1.008	10	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	126.8190	0.999	3	127.1932	1.008	10	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6,6a]Cr)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cr)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	128.7150	0.000	1	128.7150	0.000	1	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	128.0110	0.000	1	128.0110	0.000	1	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6,6a]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	125.8680	0.000	1	125.8680	0.000	1	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	125.9703	0.235	3	126.7836	1.329	5	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cu<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	128.3550	0.000	1	126.7836	1.329	5	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cu<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	127.6520	0.000	1	126.7836	1.329	5	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6,6a]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	126.3920	0.000	1	126.3920	0.000	1	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Fe<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	128.1770	0.000	1	129.9052	1.216	5	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	130.3373	0.614	4	129.9052	1.216	5	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6,6a]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	127.5280	0.000	1	127.5280	0.000	1	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	125.7370	0.000	1	126.8264	1.657	8	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	126.7670	0.000	1	126.8264	1.657	8	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	128.4080	0.000	1	126.8264	1.657	8	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	126.8275	1.604	4	126.8264	1.657	8	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<8>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	126.3890	0.000	1	126.8264	1.657	8	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6,6a]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ni)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	127.8975	1.042	2	127.8975	1.085	2	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	126.9541	0.935	10	127.1109	1.202	14	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ni<7>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	127.5027	1.517	4	127.1109	1.202	14	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	128.4610	0.000	1	128.4610	0.000	1	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	126.6970	0.000	1	128.2355	1.394	6	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	129.9430	0.000	1	128.2355	1.394	6	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	127.3340	0.000	1	128.2355	1.394	6	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	127.8080	0.000	1	128.2355	1.394	6	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ru<9>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	128.8155	0.138	2	128.2355	1.394	6	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	126.2930	0.000	1	126.6687	0.176	10	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	126.7530	0.000	1	126.6687	0.176	10	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	126.7051	0.451	8	126.6687	0.176	10	127.2281	1.894	72	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.7590	0.000	1	121.7590	0.000	1	124.9161	2.829	19	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[5,6a]H)2(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[5](N[5]C[5,6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|H<1>,4|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	125.4573	1.150	8	125.4573	1.324	8	124.9161	2.829	19	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[5,6a]H)2(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](N[5]C[5,6a]H)2(C[6]C[6]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|H<1>,4|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	124.7988	1.801	10	124.7988	3.245	10	124.9161	2.829	19	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[6](C[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[6]C[6]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ir<8>,1|H<1>,4|C<3>}	C[6](C[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	129.2980	0.000	1	129.2980	0.000	1	129.2980	0.000	1	126.9399	3.986	118	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:2:	3:2:2:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:N[6]-2:N[6]-2:	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6]N[6]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6](C[5]N[5]2)(N[6]N[6])2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6]N[6]2){2|N<2>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,2|N<2>,4|C<3>}	C[6](C[5]N[5]2)(N[6]N[6])2{1|N<2>,4|C<3>}	127.6610	0.000	1	127.6610	0.000	1	127.6610	0.000	1	127.6610	0.000	1	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-2:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NC)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]C[5]N){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NC){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<2>}	130.5513	0.886	6	130.5513	0.786	6	130.5513	0.786	6	129.7039	1.209	17	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O)	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(N[5]O[5])	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O){1|Co<6>,1|H<1>,4|C<3>}	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	128.8750	0.311	2	128.8750	0.097	2	128.5543	0.357	3	129.7039	1.209	17	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O)	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(N[5]O[5])	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O){1|Zn<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	127.9130	0.000	1	127.9130	0.000	1	128.5543	0.357	3	129.7039	1.209	17	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Cu)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Cu){1|H<1>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	128.3230	0.000	1	128.9033	0.446	4	129.4994	0.870	8	129.7039	1.209	17	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Cu)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Cu){1|H<1>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	129.0967	0.666	3	128.9033	0.446	4	129.4994	0.870	8	129.7039	1.209	17	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Ir)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Ir){1|H<1>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	130.0955	0.798	4	130.0955	0.636	4	129.4994	0.870	8	129.7039	1.209	17	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:2:2:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:N[6]-2:N[6]-2:	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6]N[6]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6](C[5]N[5]2)(N[6]N[6])2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6]N[6]2){2|N<2>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6](C[5]N[5]2)(N[6]N[6])2{1|N<2>,4|C<3>}	126.3480	0.000	1	126.3480	0.000	1	126.3480	0.000	1	126.4784	0.008	5	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:2:2:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[6]-2:N[6]-2:	C[5](N[5]C[6a]C[5])2(C[6]N[6]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6](C[5]N[5]2)(N[6]N[6])2	C[5](N[5]C[6a]C[5])2(C[6]N[6]2){2|H<1>,2|N<2>,4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<2>,3|C<3>}	C[6](C[5]N[5]2)(N[6]N[6])2{5|C<3>}	126.5110	0.060	4	126.5110	0.004	4	126.5110	0.004	4	126.4784	0.008	5	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]C)	N[5](C[5]C[5]C[6])(C[5]C[6]N[5])(CC[6]O)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]C){2|Cd<5>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5]C[6])(C[5]C[6]N[5])(CC[6]O){1|Cd<5>,2|N<3>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	126.7100	0.000	1	126.7100	0.000	1	126.7100	0.000	1	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]C[5]C)	N[5](C[5]C[5]C[6])(C[5]C[6]N[5])(CC[6]O)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]C[5]C){1|H<1>,4|C<3>}	N[5](C[5]C[5]C[6])(C[5]C[6]N[5])(CC[6]O){1|Cd<5>,2|N<3>,3|C<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	133.2370	0.000	1	133.2370	0.000	1	133.2370	0.000	1	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Ag)(N[5]C[5]N)	N[5](C[5]C[6]N[5])2(NHH)	C[6](N[6]C[6]Ag)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ag)(N[5]C[5]N){1|Ag<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6]N[5])2(NHH){2|Ag<4>,2|C<3>,2|N<3>}	C[6](N[6]C[6]Ag)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	128.4460	0.205	2	128.4460	0.042	2	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(N[5]C[5]N){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Cd<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	129.7565	0.342	2	129.7565	0.117	2	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]N){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Co<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	130.6570	0.544	15	130.6570	0.296	15	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]N[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]N){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Co<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]N[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	130.6140	0.000	1	130.6140	0.000	1	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]N)	N[5](C[5]C[6]N[5])(C[5]N[5]H)(NHH)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]N){1|Cu<5>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[5]N[5]H)(NHH){2|Cu<5>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	130.6530	0.000	1	130.6530	0.000	1	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]N){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	129.3510	0.000	1	129.3510	0.000	1	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]C[5]N){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	131.1220	1.237	67	131.1220	1.529	67	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Hg)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6](N[6]C[6]Hg)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Hg)(N[5]C[5]N){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Hg<5>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Hg)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	129.5470	0.000	1	129.5470	0.000	1	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]N)	N[5](C[5]C[6]N[5])2(NHH)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]N[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]N){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[6]N[5])2(NHH){1|Mn<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]N[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	130.1790	0.000	1	130.1790	0.000	1	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]N){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Mn<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	130.2345	0.571	2	130.2345	0.326	2	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]C[5]N){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Ni<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	131.5630	0.000	1	131.5630	0.000	1	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]C[5]N){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Zn<5>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	130.6950	0.000	1	131.1045	0.335	2	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]C[5]N)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]C[5]N){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Zn<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	131.5140	0.000	1	131.1045	0.335	2	130.8960	1.380	96	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Co)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Co){1|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Co<6>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	131.7970	0.000	1	131.7970	0.000	1	130.1799	3.259	9	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe)	N[5](C[5]C[6]N[5])2(C[6a]C[6a]2)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe){1|Fe<6>,1|H<1>,5|C<3>}	N[5](C[5]C[6]N[5])2(C[6a]C[6a]2){2|Fe<6>,2|H<1>,2|N<3>,4|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	127.9045	0.944	2	127.9045	0.891	2	130.1799	3.259	9	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe){1|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	130.6688	1.468	6	130.6688	2.155	6	130.1799	3.259	9	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:N[5a]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]N[5a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe)	N[5](C[5]C[6]N[5])2(N[5a]C[5a]2)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]N[5a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe){1|Fe<6>,1|H<1>,5|C<3>}	N[5](C[5]C[6]N[5])2(N[5a]C[5a]2){2|Fe<6>,2|H<1>,2|N<3>,4|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	130.9225	0.314	4	130.9225	0.099	4	130.3630	0.840	6	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:N[5a]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]N[5a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(N[5a]C[5a]2)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]N[5a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe){1|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(N[5a]C[5a]2){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	129.2440	0.382	2	129.2440	0.146	2	130.3630	0.840	6	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]Ir)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]Ir){3|H<1>,4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ir<6>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	131.7750	0.000	1	131.7750	0.000	1	130.8137	1.220	7	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Cu)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Cu){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C){1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	131.2420	0.000	1	130.8100	1.148	4	130.8137	1.220	7	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Cu)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Cu){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C){1|Cu<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	131.7820	0.000	1	130.8100	1.148	4	130.8137	1.220	7	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Cu)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Cu){1|Cu<5>,1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C){2|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	130.1080	1.153	2	130.8100	1.148	4	130.8137	1.220	7	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Mn)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Mn){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C){1|Mn<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	129.2220	0.000	1	129.2220	0.000	1	130.8137	1.220	7	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Re)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Re){2|H<1>,4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]H){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	131.4590	0.000	1	131.4590	0.000	1	130.8137	1.220	7	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Cu)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Cu){1|Cu<4>,1|H<1>,5|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	128.8610	0.320	2	128.8610	0.102	2	128.8610	0.102	2	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6](C[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]2){1|C<2>,1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[6](C[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,4|C<3>}	131.5760	0.000	1	131.5760	0.000	1	131.5760	0.000	1	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6]C[6]N[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	129.1890	0.000	1	129.1890	0.000	1	128.4281	1.019	7	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]N[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Ir<6>,1|N<3>,3|H<1>,5|C<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	127.6890	0.000	1	127.6890	0.000	1	128.4281	1.019	7	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]N[6])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Ir<6>,1|N<3>,2|H<1>,6|C<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	127.6825	0.336	2	127.6825	0.113	2	128.4281	1.019	7	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pd)(C[6]C[6]N[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pd)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,5|C<3>}	127.5610	0.000	1	127.5610	0.000	1	128.4281	1.019	7	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Zn)(C[6]C[6]N[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Zn)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Zn<5>,1|N<3>,3|H<1>,5|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,5|C<3>}	129.5965	0.531	2	129.5965	0.282	2	128.4281	1.019	7	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[6a]C[5])2(C[6]C[6]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](N[5]C[6a]C[5])2(C[6]C[6]2){4|H<1>,6|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,4|C<3>}	128.2160	0.636	3	128.8000	0.331	9	128.8000	0.331	9	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[6a]C[5])2(C[6]C[6]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](N[5]C[6a]C[5])2(C[6]C[6]2){4|H<1>,6|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,4|C<3>}	129.0920	0.247	6	128.8000	0.331	9	128.8000	0.331	9	130.5248	2.019	139	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:2:2:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:S-4:	C[5]-3:C[6]-2:C[6]-2:	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]C[5]S)	N[5](C[5]C[5]C[6])(C[5]C[5]N[5])(SC[6]OO)	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]C[5]S){1|Pd<4>,1|C<4>,4|C<2>}	N[5](C[5]C[5]C[6])(C[5]C[5]N[5])(SC[6]OO){1|Fe<10>,1|Pd<4>,2|C<2>,3|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6])2{1|C<2>,1|N<3>,1|S<4>,2|C<3>}	111.2495	0.291	2	111.2495	0.084	2	111.2495	0.084	2	117.7905	59.101	4	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:2:2:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[6]-2:N[6]-2:	C[5](C[6]N[6]2)(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH)	C[6](C[5]N[5]2)(N[6]N[6])2	C[5](C[6]N[6]2)(N[5]C[5]C)2{2|H<1>,2|N<2>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>,2|N<2>}	C[6](C[5]N[5]2)(N[6]N[6])2{2|C<4>,3|C<3>}	126.0750	0.000	1	126.0750	0.000	1	126.0750	0.000	1	117.7905	59.101	4	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:2:2:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:N[6]-2:N[6]-2:	C[5](N[5]C[6a]C[5])(C[6]N[6]2)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6](C[5]N[5]2)(N[6]N[6])2	C[5](N[5]C[6a]C[5])(C[6]N[6]2)(N[5]C[5]C){2|C<3>,2|N<2>,4|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|H<1>,2|N<2>,3|C<4>}	C[6](C[5]N[5]2)(N[6]N[6])2{2|C<3>,3|C<4>}	122.5880	0.000	1	122.5880	0.000	1	122.5880	0.000	1	117.7905	59.101	4	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:2:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:N[6]-2:	C[5](N[5]C[5]Pd)(C[6]N[6]2)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[6](N[6]N[6]Pd)(C[5]N[5]2)(N[6]N[6])	C[5](N[5]C[5]Pd)(C[6]N[6]2)(N[5]C[5]C){2|H<1>,2|N<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]N[6]Pd)(C[5]N[5]2)(N[6]N[6]){3|C<3>,3|C<4>}	130.7670	0.000	1	130.7670	0.000	1	131.3675	0.721	2	128.6356	3.208	8	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:2:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:N[6]-2:	C[5](N[5]C[5]Pt)(C[6]N[6]2)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[6](N[6]N[6]Pt)(C[5]N[5]2)(N[6]N[6])	C[5](N[5]C[5]Pt)(C[6]N[6]2)(N[5]C[5]C){2|H<1>,2|N<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]N[6]Pt)(C[5]N[5]2)(N[6]N[6]){3|C<3>,3|C<4>}	131.9680	0.000	1	131.9680	0.000	1	131.3675	0.721	2	128.6356	3.208	8	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:2:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:N[6]-2:	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6]N[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(N[6]C[6])	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]C)(C[6]N[6]2){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	127.9287	0.494	3	127.9287	0.244	3	127.7250	0.367	6	128.6356	3.208	8	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:2:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:N[6]-2:	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6]N[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(N[6]C[6])	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]C)(C[6]N[6]2){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Zn<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	127.5213	0.742	3	127.5213	0.550	3	127.7250	0.367	6	128.6356	3.208	8	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6]-3:N[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]C)	C[5](C[6]C[6]N[6])(N[5]C[5]C)2{1|H<1>,5|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,7|C<4>}	126.0565	0.182	2	126.0565	0.033	2	126.0565	0.033	2	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	127.8390	0.000	1	127.8390	0.000	1	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	123.8030	0.000	1	123.8030	0.000	1	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	131.8970	0.000	1	131.8970	0.000	1	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]HH)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]HH){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	130.4950	1.044	2	130.4950	1.089	2	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	130.7245	0.470	4	130.7245	0.221	4	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CCHH)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CCHH){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	130.2810	0.000	1	130.2810	0.000	1	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	132.1180	0.000	1	132.1180	0.000	1	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C)	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C){1|H<1>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(CH3){1|Re<6>,1|N<3>,4|C<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	130.2020	0.000	1	130.2020	0.000	1	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	130.8855	0.482	2	131.3680	2.590	4	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	133.6680	0.000	1	131.3680	2.590	4	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	130.0330	0.000	1	131.3680	2.590	4	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])(CC[6a]HH)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]C){1|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|N<3>,4|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	130.4080	0.000	1	130.4080	0.000	1	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]C[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(CH3){1|Ir<6>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	132.2430	0.000	1	132.2430	0.000	1	130.4528	4.258	18	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C)	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3)	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C){1|Co<4>,3|H<1>,4|C<3>}	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3){1|N<3>,3|C<3>}	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	126.9080	0.000	1	126.9080	0.000	1	126.9560	0.005	2	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[6]-3:C[6]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C)	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3)	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C){1|Zn<4>,3|H<1>,4|C<3>}	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3){1|N<3>,3|C<3>}	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	127.0040	0.000	1	127.0040	0.000	1	126.9560	0.005	2	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Cd<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	127.4990	0.000	1	127.4990	0.000	1	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	128.9173	0.178	3	128.9173	0.032	3	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	130.1805	0.497	4	130.1805	0.247	4	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.5320	0.000	1	129.5320	0.000	1	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	131.8678	0.556	4	131.8678	0.309	4	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Fe<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	128.5860	0.000	1	127.9740	0.749	2	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Fe<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	127.3620	0.000	1	127.9740	0.749	2	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Hg)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6](N[6]C[6]Hg)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Hg)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Hg<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Hg)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	129.2500	0.000	1	129.2500	0.000	1	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	129.6950	0.632	2	129.6950	0.400	2	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6,6a]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	133.3320	0.000	1	133.3320	0.000	1	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	130.4943	0.369	6	130.4943	0.136	6	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Mn<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	127.7665	0.964	2	127.7665	0.929	2	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ni<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	129.4323	0.571	3	128.8331	0.628	8	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	128.7773	0.245	4	128.8331	0.628	8	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	127.2590	0.000	1	128.8331	0.628	8	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Os)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Os)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Os)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Os)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	130.9273	1.115	6	131.0584	0.877	15	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Os)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Os)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Os)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Os)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	131.1458	0.858	9	131.0584	0.877	15	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	130.9300	0.000	1	130.9300	0.000	1	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	130.7085	1.395	2	130.7085	1.946	2	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	129.3247	0.014	3	129.3247	0.000	3	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ru<9>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	130.4410	0.000	1	130.4410	0.000	1	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Sn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6](N[6]C[6]Sn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Sn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Sn<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Sn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	130.0315	0.371	2	130.0315	0.138	2	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[6](N[6]C[6,6a]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	128.8280	0.174	2	128.8280	0.030	2	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH)	C[6](N[6]C[6,6a]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|Zn<5>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[5]N[5]2)(C[6]C[6]H){1|Zn<5>,1|C<4>,1|H<1>,4|C<3>}	121.1865	0.667	2	121.1865	0.445	2	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	129.6200	0.000	1	129.4217	0.372	3	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	129.9080	0.000	1	129.4217	0.372	3	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	128.7370	0.000	1	129.4217	0.372	3	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	128.6362	0.673	4	128.6362	0.452	4	129.6943	3.950	70	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]Co)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]Co){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Co<5>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	125.0817	1.008	3	125.0817	1.015	3	125.0817	1.015	3	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){2|H<1>,4|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	128.9520	0.000	1	128.9520	0.000	1	128.9520	0.000	1	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[6a]C[5])2(C[6]C[6]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](N[5]C[6a]C[5])2(C[6]C[6]2){6|C<3>,6|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,4|C<3>}	125.8910	0.000	1	125.8910	0.000	1	125.8910	0.000	1	129.5141	4.943	97	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	4:3:2:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6]-4:C[5]-3:C[6]-2:	C[5](C[6]C[6]2)(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3)	C[6](C[6]C[6]HH)(C[5]N[5]2)(C[6]B[6])	C[5](C[6]C[6]2)(N[5]C[5]C)2{1|B<4>,1|C<4>,4|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[5]N[5]2)(C[6]B[6]){1|O<2>,4|C<3>,4|C<4>}	126.4638	3.468	4	126.4638	12.028	4	126.4638	12.028	4	126.4638	12.028	4	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[6]C[6]2)(N[5]C[5]H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	122.6810	0.000	1	123.9498	3.590	5	124.4059	1.816	11	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[6]C[6]2)(N[5]C[5]H)2{1|O<1>,2|C<3>,5|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	124.2670	2.029	4	123.9498	3.590	5	124.4059	1.816	11	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](C[6]C[6]2)(N[5]C[5]H)2{2|C<3>,6|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	124.4027	0.099	4	124.4027	0.010	4	124.4059	1.816	11	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]H)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[6](C[5]N[5]2)(C[6]O[6]O)2	C[5](C[6]C[6]2)(N[5]C[5]H)2{2|O<1>,2|O<2>,4|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[6](C[5]N[5]2)(C[6]O[6]O)2{2|H<1>,3|C<4>}	125.5525	0.325	2	125.5525	0.105	2	124.4059	1.816	11	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]C)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]C[5]H){1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(H){1|Co<6>,1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	126.7045	0.815	2	126.7045	0.665	2	125.9023	0.793	9	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]H){2|C<3>,5|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.3680	0.000	1	126.3680	0.000	1	125.9023	0.793	9	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]C)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H){1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(H){1|Mn<6>,1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	125.4095	0.022	2	125.4095	0.000	2	125.9023	0.793	9	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H){2|C<3>,5|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|Mn<5>,1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	124.7115	0.076	2	125.6312	1.131	4	125.9023	0.793	9	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H){2|C<3>,5|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(H){1|Mn<6>,1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	126.5510	0.065	2	125.6312	1.131	4	125.9023	0.793	9	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|O<1>,3|C<4>}	125.4385	1.053	4	125.9362	1.265	6	125.7158	1.086	37	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	126.8160	0.000	1	125.9362	1.265	6	125.7158	1.086	37	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	127.0470	0.000	1	125.9362	1.265	6	125.7158	1.086	37	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](C[6]C[6]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	125.6731	1.040	31	125.6731	1.081	31	125.7158	1.086	37	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6]-3:N[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	124.5817	0.870	4	124.6780	0.522	6	124.7224	0.379	8	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6]-3:N[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	124.8705	0.476	2	124.6780	0.522	6	124.7224	0.379	8	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6]-3:N[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]O)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	124.8555	0.037	2	124.8555	0.001	2	124.7224	0.379	8	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6,6a]-3:C[5]-3:N[6]-3:	C[5](C[6]C[6,6a]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]C[6]O)	C[5](C[6]C[6,6a]N[6])(N[5]C[5]O)2{1|O<1>,3|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]C[6]O){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	125.0065	1.627	2	125.0065	2.647	2	124.9575	5.584	6	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6,6a]-3:C[5]-3:N[6]-3:	C[5](C[6]C[6,6a]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]N[6]O)	C[5](C[6]C[6,6a]N[6])(N[5]C[5]O)2{1|N<2>,1|O<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]N[6]O){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	124.9330	2.902	4	124.9330	8.422	4	124.9575	5.584	6	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[6]-3:N[6]-3:C[5]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|N<3>,1|O<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|N<3>,3|O<1>}	124.7993	1.960	4	124.7993	3.841	4	124.7993	3.841	4	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]C[5]O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|Co<6>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.0610	0.000	1	124.0610	0.000	1	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|Mn<6>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.3640	0.000	1	124.3640	0.000	1	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|Ni<5>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	126.2030	0.000	1	124.9644	0.939	8	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|Ni<6>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	123.7545	0.752	2	124.9644	0.939	8	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|Ni<6>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.1930	0.000	1	124.9644	0.939	8	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|Ni<6>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	125.4525	0.012	4	124.9644	0.939	8	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H){2|C<3>,2|C<4>,2|O<1>}	124.5550	0.362	2	124.4923	0.093	4	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H){2|C<3>,2|C<4>,2|O<1>}	124.1730	0.000	1	124.4923	0.093	4	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H){2|C<3>,2|C<4>,2|O<1>}	124.6860	0.000	1	124.4923	0.093	4	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|Co<6>,1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	124.1400	0.000	1	124.1400	0.000	1	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|Mn<6>,1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	124.3600	0.000	1	124.3600	0.000	1	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|Ni<6>,1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	124.2060	0.000	1	124.2060	0.000	1	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	126.0610	0.646	2	126.0610	0.418	2	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(N[5]C[5]O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|Pt<4>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	126.9530	0.000	1	126.9530	0.000	1	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|Zn<5>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	125.2973	0.091	8	125.1634	0.168	9	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]O)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(O){1|Zn<6>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.0930	0.000	1	125.1634	0.168	9	124.9780	0.679	29	125.2322	1.457	104	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:2:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OMn)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OMn){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	124.7440	0.000	1	124.0670	0.917	2	124.0670	0.917	2	125.7743	1.861	7	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:2:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OMn)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OMn){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.3900	0.000	1	124.0670	0.917	2	124.0670	0.917	2	125.7743	1.861	7	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:2:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OCo)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|Co<6>,1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OCo){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	127.2480	0.000	1	127.2480	0.000	1	126.9620	0.062	3	125.7743	1.861	7	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:2:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OMn)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|Mn<6>,1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OMn){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	126.8380	0.000	1	126.8380	0.000	1	126.9620	0.062	3	125.7743	1.861	7	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:2:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(ONi)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|Ni<6>,1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(ONi){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	126.8000	0.000	1	126.8000	0.000	1	126.9620	0.062	3	125.7743	1.861	7	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:2:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[6]-3:N[6]-3:C[5]-3:	C[5](C[6]N[6]2)(N[5]C[5]O)2	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OCo)	C[6](N[6]C[6]Co)2(C[5]N[5]2)	C[5](C[6]N[6]2)(N[5]C[5]O)2{2|Co<6>,2|C<3>,4|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]CC)(OCo){1|O<2>,2|C<4>,2|N<3>}	C[6](N[6]C[6]Co)2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	125.7000	0.225	2	125.7000	0.051	2	125.7000	0.051	2	125.7743	1.861	7	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:4:	3:2:2:	N[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:N[6]-2:N[6]-2:	C[5](N[5]C[6a]C[5])(C[6]N[6]2)(N[5]C[5]C)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH)	C[6](C[5]N[5]2)(N[6]N[6])2	C[5](N[5]C[6a]C[5])(C[6]N[6]2)(N[5]C[5]C){2|C<3>,2|N<2>,4|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5]N[5]2)(N[6]N[6])2{2|C<3>,3|C<4>}	124.4880	0.000	1	124.4880	0.000	1	124.4880	0.000	1	124.4880	0.000	1	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	3:4:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]C)2	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)	C[6](C[5]N[5]2)(C[6]O[6]O)2	C[5](C[6]C[6]2)(N[5]C[5]C)2{2|O<1>,2|O<2>,4|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]O[6]O)2{5|C<4>}	124.5785	1.508	2	124.5785	2.275	2	124.5785	2.275	2	124.5785	2.275	2	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	4:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(H){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	123.5330	0.000	1	123.5330	0.000	1	124.2035	0.899	2	124.2035	0.899	2	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	4:3:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(N[5]C[5]H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(H){1|Ru<9>,1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	124.8740	0.000	1	124.8740	0.000	1	124.2035	0.899	2	124.2035	0.899	2	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:3:3:	4:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(CH3)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(N[5]C[5]C){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(CH3){1|Ru<9>,1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	126.9530	0.000	1	126.9530	0.000	1	126.9530	0.000	1	126.9530	0.000	1	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:4:3:	3:3:4:	3:3:3:	C[6]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(C[5]C[5]Pd2)(N[5]C[5]C)	N[5](C[5]C[5]C[6])(C[5]C[5]H)(CH3)	C[6](N[6]C[6,6a]Pd)(C[5]C[5]N[5])(C[6]C[6]H)	C[5](C[6]C[6]N[6])(C[5]C[5]Pd2)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5]C[5]C[6])(C[5]C[5]H)(CH3){2|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6,6a]Pd)(C[5]C[5]N[5])(C[6]C[6]H){1|Pd<4>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	131.2940	0.000	1	131.2940	0.000	1	131.2940	0.000	1	127.7485	6.006	4	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:4:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-4:C[6]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2)	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|C<3>,1|O<2>,6|C<4>}	127.0950	0.000	1	126.5667	0.629	3	126.5667	0.629	3	127.7485	6.006	4	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:4:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-4:C[6]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2)	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<3>,3|C<3>,4|C<4>}	125.6550	0.000	1	126.5667	0.629	3	126.5667	0.629	3	127.7485	6.006	4	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	3:4:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-4:C[6]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2)	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|O<2>,3|C<3>,4|C<4>}	126.9500	0.000	1	126.5667	0.629	3	126.5667	0.629	3	127.7485	6.006	4	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[6](C[5]C[5]N[5])(C[6]O[6]O)2	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2){2|O<1>,2|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[5]C[5]N[5])(C[6]O[6]O)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	125.0570	0.595	2	125.0570	0.354	2	125.0570	0.354	2	125.0570	0.354	2	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	4:3:3:	3:3:4:	3:3:3:	C[5,6]-4:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[6]C[6]2)	N[5](C[5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6](C[5]C[5,6]N[5])(C[6]C[6]H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[6]C[6]2){4|C<3>,5|C<4>,7|H<1>}	N[5](C[5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[6](C[5]C[5,6]N[5])(C[6]C[6]H)2{1|O<2>,3|C<3>,4|C<4>}	125.1020	0.000	1	125.1020	0.000	1	125.1020	0.000	1	125.1020	0.000	1	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	4:3:3:	3:4:1:	3:3:3:	C[5]-4:C[6]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]H)	N[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[5]C[5]N[5])(C[6]O[6]O)2	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]H){2|O<1>,2|O<2>,4|H<1>}	N[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[6](C[5]C[5]N[5])(C[6]O[6]O)2{3|C<4>,3|H<1>}	125.0510	0.000	1	125.0510	0.000	1	125.0510	0.000	1	125.0510	0.000	1	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP2	C[5]	N[5]	C[6]	4:3:3:	3:4:4:	3:3:3:	C[5]-4:C[6]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5]C[5]CC)(C[6]C[6]2)(N[5]C[5]C)	N[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCCH)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[5](C[5]C[5]CC)(C[6]C[6]2)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{2|H<1>,6|C<4>}	124.1650	0.000	1	124.1650	0.000	1	124.1650	0.000	1	124.1650	0.000	1	128.0855	9.702	564	128.5002	10.012	726
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5,5]	C[6]	3:3:3:	4:3:4:	3:3:1:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:O-1:	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>}	123.4750	0.000	1	123.4750	0.000	1	123.4750	0.000	1	123.4750	0.000	1	123.4750	0.000	1	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	3:3:1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|O<1>,2|C<3>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	127.3060	0.000	1	127.3060	0.000	1	127.3060	0.000	1	127.3060	0.000	1	129.8470	2.492	16	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-4:N-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<4>,1|O<2>,7|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO){2|H<1>,4|C<4>}	130.9060	0.000	1	130.9060	0.000	1	131.2917	0.558	3	131.2917	0.558	3	129.8470	2.492	16	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-4:N-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[5]HH)	C[6](C[5,6]N[5,6]N[5])(C[6]N[6]HH)(NOO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|N<3>,8|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[5]HH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]N[6]HH)(NOO){5|C<4>}	131.4845	0.945	2	131.4845	0.894	2	131.2917	0.558	3	131.2917	0.558	3	129.8470	2.492	16	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C){1|O<2>,2|C<4>,6|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO){2|H<1>,5|C<4>}	132.1840	0.000	1	132.1840	0.000	1	132.1840	0.000	1	131.6380	0.596	2	129.8470	2.492	16	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6]	3:3:3:	3:4:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[6,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){1|N<3>,2|H<1>,5|C<4>}	131.0920	0.000	1	131.0920	0.000	1	131.0920	0.000	1	131.6380	0.596	2	129.8470	2.492	16	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6,6]C[6,6]C[6]H)(COO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	127.4060	0.000	1	127.4060	0.000	1	127.4060	0.000	1	128.3790	1.612	3	129.8470	2.492	16	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	127.9160	0.000	1	128.8655	1.803	2	128.8655	1.803	2	128.3790	1.612	3	129.8470	2.492	16	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6,6]HH)(COO){1|H<1>,2|C<3>,4|C<4>}	129.8150	0.000	1	128.8655	1.803	2	128.8655	1.803	2	128.3790	1.612	3	129.8470	2.492	16	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[6,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]N[5])(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]N[5])(COO){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	128.3210	0.000	1	128.3210	0.000	1	128.3210	0.000	1	128.3210	0.000	1	129.8470	2.492	16	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6]	4:3:3:	3:4:4:	3:3:1:	C[5,5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:S-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S)	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(SC[6a]OO)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]N)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]N)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	128.1560	0.000	1	128.1560	0.000	1	128.1560	0.000	1	129.9395	0.893	6	129.8470	2.492	16	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6]	4:3:3:	3:4:4:	3:3:1:	C[5,6,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:S-4:	C[5a,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]H)(N[5]C[5]S)	N[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6,6]N[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]H)(N[5]C[5]S){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6,6]N[5])(H){1|C<3>,1|S<2>,1|S<4>,2|H<1>,3|C<4>}	130.2170	0.000	1	130.2170	0.000	1	130.2170	0.000	1	129.9395	0.893	6	129.8470	2.492	16	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5,6]	N[5]	C[6]	4:3:3:	3:4:4:	3:3:1:	C[5,6,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:S-4:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(N[5]C[5]S)	N[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	130.3160	0.462	4	130.3160	0.214	4	130.3160	0.214	4	129.9395	0.893	6	129.8470	2.492	16	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6]-3:N[5,6]-3:N[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5]-3:N[6]-3:	C[5](C[6]C[6,6a]N[6])(N[5,6]C[5,6]2)(N[5]C[6a]N[5])	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6])	C[5](C[6]C[6,6a]N[6])(N[5,6]C[5,6]2)(N[5]C[6a]N[5]){1|H<1>,3|C<4>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]C[6]N[5]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,6|C<3>}	129.5630	0.000	1	129.5630	0.000	1	129.5630	0.000	1	129.5630	0.000	1	129.5630	0.000	1	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5]	N[5]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[5,6]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6,6a]-3:C[5]-3:N[6]-3:	C[5](C[6]C[6,6a]N[6])(N[5,6]C[5,6]2)(N[5]C[6a]N[5])	N[5](C[5]N[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6])	C[5](C[6]C[6,6a]N[6])(N[5,6]C[5,6]2)(N[5]C[6a]N[5]){1|H<1>,3|C<4>,6|C<3>}	N[5](C[5]N[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5,6]){2|Br<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,6|C<3>}	127.1090	0.000	1	127.1090	0.000	1	127.1090	0.000	1	127.1090	0.000	1	126.4898	0.240	11	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[6a]C[5])2(C[6]C[6]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](N[5]C[6a]C[5])2(C[6]C[6]2){4|H<1>,6|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,4|C<3>}	127.1820	0.000	1	126.6003	0.202	7	126.6003	0.202	7	126.6003	0.202	7	126.4898	0.240	11	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5]	N[5]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[6a]C[5])2(C[6]C[6]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](N[5]C[6a]C[5])2(C[6]C[6]2){4|H<1>,6|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,4|C<3>}	126.5033	0.404	6	126.6003	0.202	7	126.6003	0.202	7	126.6003	0.202	7	126.4898	0.240	11	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5]	N[5]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6]-3:C[6]-3:	C[5](N[5]C[6a]C[5])2(C[6]C[6]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[5](N[5]C[6a]C[5])2(C[6]C[6]2){6|C<3>,6|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,4|C<3>}	126.2300	0.000	1	126.2300	0.000	1	126.2300	0.000	1	126.2300	0.000	1	126.4898	0.240	11	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5]	N[5]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[6]C[6]2)(N[5]C[5]H)2	N[5](C[5]C[6]N[5])(C[5]C[5]CH)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[6]C[6]2)(N[5]C[5]H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]CH)(H){2|C<3>,3|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	125.8500	0.000	1	125.8500	0.000	1	125.8500	0.000	1	125.8500	0.000	1	126.4898	0.240	11	128.3441	4.962	29
818	542	762	0:SP2_SP2_SP3	C[5]	N[5]	C[6]	3:3:3:	4:3:4:	3:3:3:	C[6]-3:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:S-4:	N[6]-3:C[5]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(SCOO)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]S){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(SCOO){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	125.9970	0.000	1	125.9970	0.000	1	125.9970	0.000	1	125.9970	0.000	1	126.4898	0.240	11	128.3441	4.962	29
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:P[5,5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H)	N[5,5,6](C[5,6]C[5]C[6])2(P[5,5]N[5]2)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	N[5,5,6](C[5,6]C[5]C[6])2(P[5,5]N[5]2){2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	120.0980	0.081	2	120.0980	0.006	2	120.0980	0.006	2	120.0060	0.029	3	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:S[5,5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5]N[5]H)(C[6]C[6]H)	N[5,5,6](C[5,6]C[5]C[6])2(S[5,5]N[5]2)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5]N[5]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	N[5,5,6](C[5,6]C[5]C[6])2(S[5,5]N[5]2){3|C<3>,4|H<1>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<3>,2|H<1>}	119.8220	0.000	1	119.8220	0.000	1	119.8220	0.000	1	120.0060	0.029	3	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,5]2Cl2)(C[5,6]C[5,5]C[6])2	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,5]2Cl2)(C[5,6]C[5,5]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,2|N<3>}	120.6187	0.175	3	120.6187	0.031	3	120.9940	0.284	5	120.8029	0.550	15	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]O[5])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,5]2Cl2)(C[5,6]C[5,5]C[6])2	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]O[5])(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,5]2Cl2)(C[5,6]C[5,5]C[6])2{2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	121.5570	0.136	2	121.5570	0.018	2	120.9940	0.284	5	120.8029	0.550	15	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2Cl2)(C[5,6]C[5,6]C[6])2	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]C)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2Cl2)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]C)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	121.0580	1.674	2	121.0580	2.804	2	120.5811	0.549	8	120.8029	0.550	15	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2ClPd)(C[5,6]C[5,6]C[6])2	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|Cl<1>,1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2ClPd)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	120.2810	0.451	2	120.2810	0.204	2	120.5811	0.549	8	120.8029	0.550	15	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2FF)(C[5,6]C[5,6]C[6])2	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2FF)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	120.5495	0.087	2	120.5495	0.008	2	120.5811	0.549	8	120.8029	0.550	15	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2II)(C[5,6]C[5,6]C[6])2	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6a]C[6])(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,2|I<1>,5|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2II)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6a]C[6])(H){1|Ga<5>,1|H<1>,1|N<3>,4|C<3>}	120.4360	0.389	2	120.4360	0.151	2	120.5811	0.549	8	120.8029	0.550	15	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	In[5,5]-5:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](In[5,5]N[5,6]2Cl2)(C[5,6]C[5,6]C[6])2	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	N[5,5,6](In[5,5]N[5,6]2Cl2)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	121.2120	1.345	2	121.2120	1.809	2	121.2120	1.809	2	120.8029	0.550	15	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2Br3)(C[5,6]C[5,6]C[6])2	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Br<1>,1|N<3>,2|H<1>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2Br3)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	120.1005	0.039	2	120.1005	0.002	2	120.1062	0.041	6	120.0658	0.093	13	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2Cl3)(C[5,6]C[5,6]C[6])2	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2Cl3)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	120.0020	0.226	2	120.0020	0.051	2	120.1062	0.041	6	120.0658	0.093	13	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2F3)(C[5,6]C[5,6]C[6])2	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|F<1>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2F3)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	120.2160	0.325	2	120.2160	0.106	2	120.1062	0.041	6	120.0658	0.093	13	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](In[5,5]N[5,6]2Cl2Pd)(C[5,6]C[5,6]C[6])2	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|Pd<4>,2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	N[5,5,6](In[5,5]N[5,6]2Cl2Pd)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	119.6190	0.339	2	119.6190	0.115	2	119.8342	0.114	4	120.0658	0.093	13	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](In[5,5]N[5,6]2Cl3)(C[5,6]C[5,6]C[6])2	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	N[5,5,6](In[5,5]N[5,6]2Cl3)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	120.0495	0.203	2	120.0495	0.041	2	119.8342	0.114	4	120.0658	0.093	13	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	P[3x5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]C[5,6]P[3x5])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](P[3x5]N[5,6]2C[6a]O[5]2)(C[5,6]C[5,6]C[6])2	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]C[5,6]P[3x5])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	N[5,5,6](P[3x5]N[5,6]2C[6a]O[5]2)(C[5,6]C[5,6]C[6])2{2|H<1>,9|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>,2|C<3>}	119.9430	0.000	1	119.9430	0.000	1	119.9430	0.000	1	120.0658	0.093	13	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	Ga[5x5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H)	N[5,5,6](Ga[5x5]N[5,5,6]N[5,5]2O[5]2)(C[5,6]C[5]C[6])2	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|N<3>}	N[5,5,6](Ga[5x5]N[5,5,6]N[5,5]2O[5]2)(C[5,6]C[5]C[6])2{1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	120.4695	0.067	2	120.4695	0.005	2	120.4695	0.005	2	120.0658	0.093	13	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	7:3:3:	3:3:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	In[3x5]-7:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]In[3x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H)	N[5,5,6](In[3x5]N[5,6]O[5]3OO)(C[5,6]C[5]C[6])2	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]In[3x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,2|O<2>,2|O<3>}	N[5,5,6](In[3x5]N[5,6]O[5]3OO)(C[5,6]C[5]C[6])2{2|H<1>,2|O<1>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	121.1675	0.189	2	121.1675	0.036	2	121.1675	0.036	2	120.9904	0.374	8	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:3:3:	7:3:3:	3:3:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	In[4,5,5]-7:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]In[4,5,5]C[5,6])(C[5]O[5]O)(C[6]C[6]H)	N[5,5,6](In[4,5,5]O[4]2O[5]2OO)(C[5,6]C[5]C[6])2	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]In[4,5,5]C[5,6])(C[5]O[5]O)(C[6]C[6]H){1|H<1>,2|C<3>,2|O<3>,3|O<2>}	N[5,5,6](In[4,5,5]O[4]2O[5]2OO)(C[5,6]C[5]C[6])2{2|C<3>,2|H<1>,2|O<1>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	120.9313	0.707	6	120.9313	0.500	6	120.9313	0.500	6	120.9904	0.374	8	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:4:3:	6:3:3:	3:3:1:	N[5,5,6]-3:C[5]-4:C[6]-3:	Ga[5x5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H)	N[5,5,6](Ga[5x5]N[5,5,6]N[5,5]2O[5]2)(C[5,6]C[5]C[6])2	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	N[5,5,6](Ga[5x5]N[5,5,6]N[5,5]2O[5]2)(C[5,6]C[5]C[6])2{1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<3>,3|H<1>}	119.9840	0.000	1	119.7860	0.078	2	119.7860	0.078	2	119.7860	0.078	2	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[6]	3:4:3:	6:3:3:	3:3:1:	N[5,5,6]-3:C[5]-4:C[6]-3:	Ga[5x5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H)	N[5,5,6](Ga[5x5]N[5,5,6]N[5,5]2O[5]2)(C[5,6]C[5]C[6])2	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	N[5,5,6](Ga[5x5]N[5,5,6]N[5,5]2O[5]2)(C[5,6]C[5]C[6])2{1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	119.5880	0.000	1	119.7860	0.078	2	119.7860	0.078	2	119.7860	0.078	2	120.4979	0.477	41	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	N[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[6,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(C[6]C[6]H)	N[5,6,6](C[5,6,6]C[5,6]C[6]N[6])(C[5,6]C[5]C[6])(C[6,6]C[6]2)	C[6](C[5,6]N[5,6,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6,6](C[5,6,6]C[5,6]C[6]N[6])(C[5,6]C[5]C[6])(C[6,6]C[6]2){6|C<3>,7|H<1>}	C[6](C[5,6]N[5,6,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.1760	0.000	1	119.1760	0.000	1	119.1760	0.000	1	119.1760	0.000	1	119.1760	0.000	1	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6]	3:3:2:	3:3:2:	3:3:3:	N[5,6]-3:C[6,6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,6](N[5,6]C[5,6a]O[6])(C[6,6]C[6,6]C[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(O[6]C[5,6])	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]O[6])(C[6,6]C[6,6]C[6])(S[5]C[5,6a]){1|C<4>,1|O<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(O[6]C[5,6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.0800	1.783	2	121.0800	3.180	2	121.0800	3.180	2	121.0800	3.180	2	121.3970	1.210	5	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6]	3:3:2:	3:3:4:	3:3:2:	C[6,6]-3:N[5,6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6,6]-3:C[5,6]-3:C[6]-2:	C[5,6](C[6,6]C[5a,6,6]C[6])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]N[5a,6]OO)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6])	C[5,6](C[6,6]C[5a,6,6]C[6])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|N<3>,2|O<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]N[5a,6]OO){1|C<2>,1|H<1>,4|C<3>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6]){1|B<4>,1|H<1>,5|C<3>}	122.4840	0.000	1	122.4840	0.000	1	122.4840	0.000	1	121.6083	0.662	3	121.3970	1.210	5	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6,6]	3:3:2:	3:3:4:	3:3:2:	N[5,6]-3:C[6,6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6]-3:N[6]-2:	C[5,6](N[5,6]C[5,6a]B[6])(C[6,6]C[6,6]N[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]O[6]FF)	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]N[6]O[6])(N[6]N[6])	C[5,6](N[5,6]C[5,6a]B[6])(C[6,6]C[6,6]N[6])(S[5]C[5,6a]){1|O<2>,2|C<3>,2|F<1>,2|N<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]O[6]FF){1|H<1>,1|N<2>,3|C<3>}	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]N[6]O[6])(N[6]N[6]){1|H<1>,2|B<4>,3|C<3>}	121.1705	0.416	2	121.1705	0.173	2	121.1705	0.173	2	121.6083	0.662	3	121.3970	1.210	5	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	N[5,6]-3:P[5]-2:C[6]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6])(C[6]C[6]H)	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6])(C[6]C[6]H){2|H<1>,3|C<3>}	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.6180	0.000	2	117.6180	0.000	2	117.6180	0.000	2	118.2047	1.033	3	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	N[5,6]-3:P[5]-2:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])	C[6](C[5,6]N[5,6]P[5])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])(C[6]C[6]H){1|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5]){3|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6,6a]H)(H){1|N<3>,3|C<3>}	119.3780	0.000	1	119.3780	0.000	1	119.3780	0.000	1	118.2047	1.033	3	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:3:3:	3:4:3:	N[5,6]-3:O[5]-2:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(CC[5a]O)	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(CC[5a]O){2|H<1>,3|C<3>}	124.8900	0.000	1	124.8900	0.000	1	124.8900	0.000	1	124.3445	0.595	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:3:3:	3:4:3:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]O)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]CH)(CC[6a]O)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]CH)(CC[6a]O){2|H<1>,3|C<3>}	123.7990	0.000	1	123.7990	0.000	1	123.7990	0.000	1	124.3445	0.595	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:3:4:	3:2:2:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:N[6]-2:C-2:	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]N[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[6](C[5,6]N[5,6]S[5])(N[6]N[6])(CN)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]N[6]C){1|N<3>,2|C<3>,2|F<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[5,6]N[5,6]S[5])(N[6]N[6])(CN){1|B<4>,3|C<3>}	121.1320	0.000	1	121.1320	0.000	1	121.1320	0.000	1	121.1320	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:3:4:	3:3:1:	N[5,6]-3:O[5]-2:C[6]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]B[6])(O[5]C[5,6a])(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6a]O[6])(H)	C[5,6](N[5,6]C[5,6a]B[6])(O[5]C[5,6a])(C[6]C[6]H){1|O<2>,2|F<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6a]O[6])(H){1|B<4>,4|C<3>}	124.6585	0.803	6	124.6585	0.645	6	124.6585	0.645	6	123.4681	1.582	14	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:3:4:	3:3:1:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(H)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(H){1|B<4>,5|C<3>}	122.8548	0.334	6	122.8548	0.112	6	122.5754	0.351	8	123.4681	1.582	14	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:3:4:	3:3:1:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(H)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H){1|O<2>,2|F<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(H){1|B<4>,4|C<3>}	121.7370	0.153	2	121.7370	0.023	2	122.5754	0.351	8	123.4681	1.582	14	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:3:4:	3:4:3:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CC[6a]O)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:3:6:	3:3:1:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6a]-3:C[5,6]-3:Nb[6]-6:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]Nb[6])(S[5]C[5,6a])(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(Nb[6]O[6]O4)	C[6](C[5,6]N[5,6]S[5])(C[6]O[6]C)(H)	C[5,6](N[5,6]C[5,6a]Nb[6])(S[5]C[5,6a])(C[6]C[6]H){1|C<4>,2|C<3>,5|O<2>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(Nb[6]O[6]O4){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]O[6]C)(H){1|Nb<6>,2|C<3>}	127.2590	0.000	1	127.2590	0.000	1	127.2590	0.000	1	127.2590	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:4:3:	3:3:1:	N[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]Cl)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	119.5260	0.073	3	119.5260	0.005	3	119.2681	0.102	8	119.7027	1.789	9	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:4:3:	3:3:1:	N[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|N<3>}	119.2655	0.530	2	119.1134	0.096	5	119.2681	0.102	8	119.7027	1.789	9	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:4:3:	3:3:1:	N[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	119.0120	0.118	3	119.1134	0.096	5	119.2681	0.102	8	119.7027	1.789	9	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:4:3:	3:3:1:	N[5,6]-3:S[5]-2:C[6]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(H)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H){1|O<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5]){2|H<1>,7|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(H){1|B<4>,4|C<3>}	123.1790	0.000	1	123.1790	0.000	1	123.1790	0.000	1	119.7027	1.789	9	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	3:4:3:	3:3:3:	N[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:N-3:	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]N)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(NOO)	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]N){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	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>}	115.4495	0.760	4	115.4495	0.577	4	115.4495	0.577	4	115.4495	0.577	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	4:3:3:	3:3:1:	N[5,6]-3:N[5]-2:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6]C[6])(N[5]C[5,6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[6])(N[5]C[5,6])(C[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]N[5])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	116.2000	0.000	1	116.2000	0.000	1	116.2000	0.000	1	118.0355	6.738	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	4:3:3:	3:3:1:	N[5,6]-3:Se[5]-2:C[6]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,5]C[6])(Se[5]C[5,5])(C[6]C[6]H)	N[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]Se[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]Se[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,5]C[6])(Se[5]C[5,5])(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]Se[5]C[6])(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]Se[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	119.8710	0.000	1	119.8710	0.000	1	119.8710	0.000	1	118.0355	6.738	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:2:3:	6:3:3:	3:3:1:	N[5,6]-3:N[5]-2:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5,5]C[6])(N[5]N[5,5])(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]N[5]Cl3)(C[5,6]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(N[5]N[5,5])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](In[5,5]N[5,5]N[5]Cl3)(C[5,6]C[6]N[5])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|N<3>}	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|O<2>}	117.3170	0.000	1	117.7340	0.348	2	117.7340	0.348	2	117.3665	0.355	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|O<2>}	118.1510	0.000	1	117.7340	0.348	2	117.7340	0.348	2	117.3665	0.355	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]Ge[5])	N[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(O[5]Ge[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]Ge[5]){1|C<3>,2|H<1>}	N[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(O[5]Ge[5]){1|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H){1|Ge<2>,1|C<3>,1|H<1>,1|O<2>}	117.2960	0.000	1	117.2960	0.000	1	116.9990	0.176	2	117.3665	0.355	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]In[5])	N[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(O[5]In[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]In[5]){2|Cl<1>,1|C<3>,2|H<1>,2|O<3>}	N[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(O[5]In[5]){2|Cl<1>,1|C<3>,2|H<1>,2|O<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|O<2>}	116.7020	0.000	1	116.7020	0.000	1	116.9990	0.176	2	117.3665	0.355	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5])	N[5,6](C[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5]){1|Fe<6>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.0720	0.000	1	116.0720	0.000	1	116.0720	0.000	1	116.6194	0.098	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	N[5,6]-3:C[6]-3:P[5]-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5])	N[5,6](C[5,6]C[6]P[5])(C[5]P[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5]){1|C<3>,1|O<2>,2|H<1>}	N[5,6](C[5,6]C[6]P[5])(C[5]P[5]O)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|P<2>,2|C<3>}	116.6650	0.000	1	116.7562	0.005	4	116.7562	0.005	4	116.6194	0.098	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	N[5,6]-3:C[6]-3:P[5]-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5])	N[5,6](C[5,6]C[6]P[5])(C[5]P[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5]){1|Mo<6>,1|C<3>,1|O<2>,2|H<1>}	N[5,6](C[5,6]C[6]P[5])(C[5]P[5]O)(C[6]C[6]H){1|Mo<6>,1|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|P<3>,2|C<3>}	116.7867	0.050	3	116.7562	0.005	4	116.7562	0.005	4	116.6194	0.098	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(N[5]C[5])	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(N[5]C[5]){1|C<3>,1|N<2>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H){2|C<3>,2|C<4>}	116.5210	0.242	2	116.5210	0.058	2	116.5210	0.058	2	124.1926	24.011	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5])	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|N<3>,5|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]N[5])(C[5]C[5]HH){1|Ir<8>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,2|C<4>}	121.8990	0.000	1	121.8990	0.000	1	121.8990	0.000	1	124.1926	24.011	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	C[6](C[5,6]N[5,6]O[5])2(H)	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]O[5])2(H){1|Ga<4>,4|C<3>}	129.4545	0.200	2	128.8860	0.576	6	128.8860	0.576	6	124.1926	24.011	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	C[6](C[5,6]N[5,6]O[5])2(H)	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]O[5])2(H){1|Ga<4>,4|C<3>}	128.6018	0.789	4	128.8860	0.576	6	128.8860	0.576	6	124.1926	24.011	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	N[5,6]-3:C[6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(O[5]Si[5])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]Si[5]HH)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(O[5]Si[5]){1|O<3>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]Si[5]HH){1|O<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6,6a]H)(H){1|Si<5>,1|C<4>,2|C<3>}	122.4570	0.000	1	122.4570	0.000	1	122.4570	0.000	1	124.1926	24.011	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]H)(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF)	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]H)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(H){1|B<4>,5|C<3>}	122.1980	0.000	1	122.1980	0.000	1	122.1980	0.000	1	124.1926	24.011	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	N[5,6]-3:C[6]-3:S[5]-2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(S[5]C[5])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]2H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(S[5]C[5]){3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]2H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6,6a]H)(H){2|C<3>,2|C<4>}	120.7960	0.037	2	120.7960	0.001	2	120.7960	0.001	2	124.1926	24.011	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:2:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[5,6]-3:C-2:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]C)(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF)	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(CN)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(CN){1|B<4>,5|C<3>}	121.8570	0.000	1	121.8570	0.000	1	121.8570	0.000	1	122.2386	0.405	8	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:2:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6,6]-3:C-2:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6,6]C)(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	122.3180	0.727	6	122.3180	0.529	6	122.3180	0.529	6	122.2386	0.405	8	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:2:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6]-3:C[5,6]-3:C-2:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5a,6]C)(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5a,6]FF)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(CN)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5a,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5a,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(CN){1|B<4>,5|C<3>}	122.1440	0.000	1	122.1440	0.000	1	122.1440	0.000	1	122.2386	0.405	8	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(N[5]C[5])	N[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]H)(C[5]C[5]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]N[5])(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(N[5]C[5]){2|C<3>,5|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]N[5])(CC[6a]O){2|C<4>,4|C<3>}	116.4610	0.000	1	116.4610	0.000	1	116.4610	0.000	1	122.4525	8.701	6	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a]){1|N<3>,2|F<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	123.9600	0.061	2	123.9600	0.004	2	123.6508	0.107	5	122.4525	8.701	6	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	3:3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a]){1|O<2>,2|F<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	123.4447	0.229	3	123.4447	0.053	3	123.6508	0.107	5	122.4525	8.701	6	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	4:3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[6]-4:C[5,6]-3:C-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5])	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]S[5])(C[5]C[5]HH)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CCO)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]S[5])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CCO){2|C<4>,4|C<3>}	122.5850	0.000	1	122.5850	0.000	1	123.1653	0.266	3	123.1653	0.266	3	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	4:3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[6]-4:C[5,6]-3:C-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5])	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]S[5])(C[5]C[5]HH)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]S[5])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[5a]O){2|C<4>,4|C<3>}	123.5710	0.000	1	123.5710	0.000	1	123.1653	0.266	3	123.1653	0.266	3	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:3:4:	4:3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[6]-4:C[5,6]-3:C-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5])	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]S[5])(C[5]C[5]HH)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(S[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]S[5])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O){2|C<4>,4|C<3>}	123.3400	0.000	1	123.3400	0.000	1	123.1653	0.266	3	123.1653	0.266	3	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:Cl-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]N[5])	N[5,6](C[5,6]C[6]N[5])(C[5]N[5]CH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]N[5]CH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.2790	0.000	1	116.2790	0.000	1	116.2790	0.000	1	118.2246	1.138	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5])	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|N<3>}	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	118.2246	1.138	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	118.1430	0.000	1	118.6115	0.439	2	118.7790	0.205	5	118.2246	1.138	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|O<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C){1|C<3>,1|O<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	119.0800	0.000	1	118.6115	0.439	2	118.7790	0.205	5	118.2246	1.138	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|Cl<1>,1|C<3>,1|O<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl){1|C<3>,1|O<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	118.5780	0.000	1	118.8907	0.145	3	118.7790	0.205	5	118.2246	1.138	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){2|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	119.0470	0.378	2	118.8907	0.145	3	118.7790	0.205	5	118.2246	1.138	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:4:3:	3:3:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a]){1|O<2>,7|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5]){1|H<1>,8|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	123.7605	0.459	2	123.7605	0.211	2	123.7605	0.211	2	123.7605	0.211	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:4:3:	3:3:4:	N[5,6]-3:C[6]-3:O[5]-2:	Ge[6]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	N[5,6](Ge[6]N[5,6]O[5])(C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])	C[6](C[5,6]N[5,6]O[5])2(CH3)	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,1|O<3>,3|H<1>}	N[5,6](Ge[6]N[5,6]O[5])(C[5]C[6a]C[5]H)(C[5,6]C[6]O[5]){2|H<1>,3|C<3>,4|C<4>}	C[6](C[5,6]N[5,6]O[5])2(CH3){1|Ge<3>,4|C<4>}	127.8780	0.212	2	127.8780	0.045	2	127.8780	0.045	2	127.8780	0.045	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:4:3:	3:4:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(S[5]C[5])	N[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CCO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(S[5]C[5]){1|C<4>,1|O<1>,6|H<1>}	N[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CCO){1|S<2>,2|C<3>,2|C<4>}	121.8380	0.000	1	121.8380	0.000	1	121.8380	0.000	1	120.5310	3.416	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	3:4:3:	3:4:3:	N[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:N-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(S[5]C[5])	N[5,6](C[5,6]C[6]S[5])(C[5]C[5]CH)(C[6]C[6]O)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(NOO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(S[5]C[5]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6]S[5])(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(NOO){1|S<2>,2|C<4>,4|C<3>}	119.2240	0.000	1	119.2240	0.000	1	119.2240	0.000	1	120.5310	3.416	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	4:3:2:	3:3:4:	N[5,6]-3:C[6]-3:O[5]-2:	C[5]-4:C[5,6]-3:Ge[6]-2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6])	C[6](C[5,6]N[5,6]O[5])2(CH3)	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]O[5])2(CH3){1|Ge<2>,4|C<4>}	127.8186	0.933	10	127.8186	0.871	10	127.8186	0.871	10	127.8186	0.871	10	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5])	N[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	117.9710	0.000	1	117.9710	0.000	1	117.9710	0.000	1	118.0455	0.011	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	N[5,6]-3:C[6]-3:O[5]-2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	N[5,6](C[5]N[6a]Si[5]H)(C[5,6]C[6]O[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5]N[6a]Si[5]H)(C[5,6]C[6]O[5])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	118.1200	0.000	1	118.1200	0.000	1	118.1200	0.000	1	118.0455	0.011	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	4:3:3:	3:3:4:	N[5,6]-3:C[6]-3:O[5]-2:	C[5]-4:C[5,6]-3:Ge[6]-3:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5])	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6]Cl)	C[6](C[5,6]N[5,6]O[5])2(CH3)	C[5,6](N[5,6]Ge[6]C[5])(C[6]C[5,6]C)(O[5]C[5]){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(Ge[6]N[5,6]Cl){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]O[5])2(CH3){1|Ge<3>,4|C<4>}	127.8525	0.647	2	127.8525	0.419	2	127.8525	0.419	2	127.8525	0.419	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	4:3:4:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5])	N[5,6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]N[5,6]N[5])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]){1|Fe<10>,1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[5,6]H)(H){1|Fe<10>,4|C<4>}	118.2230	0.167	3	118.2230	0.028	3	118.2230	0.028	3	121.0200	14.684	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:2:	4:3:4:	3:3:1:	N[5,6]-3:C[6]-3:O[5]-2:	B[5a,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]B[5a,6]C[5])(C[6]C[5,6]H)(O[5]C[5])	N[5,6](B[5a,6]N[5,6]O[5a]2)(C[5,6]C[6]O[5])(C[5]C[5]CC)	C[6](C[5,6]N[5,6]O[5])2(H)	C[5,6](N[5,6]B[5a,6]C[5])(C[6]C[5,6]H)(O[5]C[5]){1|N<3>,2|C<4>,2|H<1>,3|O<2>}	N[5,6](B[5a,6]N[5,6]O[5a]2)(C[5,6]C[6]O[5])(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]O[5])2(H){1|B<4>,4|C<4>}	125.2155	0.069	2	125.2155	0.005	2	125.2155	0.005	2	121.0200	14.684	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Ge[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ge[5]N[5,6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H){3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Ge[5]N[5,6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ge<2>,1|H<1>,1|N<3>,2|C<3>}	120.8315	0.385	2	120.8315	0.149	2	120.8315	0.149	2	121.5203	0.682	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:P[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H)	N[5,6](C[5,6]N[5,6]C[6])(P[5]C[5,6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>}	N[5,6](C[5,6]N[5,6]C[6])(P[5]C[5,6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H){1|H<1>,1|P<2>,3|C<3>}	122.2090	0.000	2	122.2090	0.000	2	122.2090	0.000	2	121.5203	0.682	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5])	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5]){1|Co<6>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.6950	0.000	1	117.8885	0.551	4	118.1062	0.650	5	119.3708	1.431	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5])	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5]){1|Fe<6>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.9530	0.896	3	117.8885	0.551	4	118.1062	0.650	5	119.3708	1.431	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]N[5])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]2)(N[5]N[5])	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]N[5]C)(C[6]C[6]H){1|Zn<4>,1|H<1>,2|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]2)(N[5]N[5]){1|Zn<4>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	118.9770	0.000	1	118.9770	0.000	1	118.1062	0.650	5	119.3708	1.431	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:P[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(P[5]N[5])	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){1|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(P[5]N[5]){2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	120.6265	0.026	2	120.6265	0.001	2	120.1990	0.549	3	119.3708	1.431	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:P[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5])	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5]){2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	119.3440	0.000	1	119.3440	0.000	1	120.1990	0.549	3	119.3708	1.431	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Se[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(Se[5]N[5])	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Se[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(Se[5]N[5]){2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1	119.3708	1.431	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:P[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6])	C[6](C[5,6]N[5,6]2)(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])(C[6]C[6]H){1|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6]){2|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]2)(C[6]C[6,6a]H)(H){1|P<2>,4|C<3>}	120.7110	0.000	1	120.7110	0.000	1	120.7110	0.000	1	119.3708	1.431	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]S[5])(N[5]C[5]Cu)(C[6]C[6]H)	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]C)(S[5]C[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]S[5])(N[5]C[5]Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]C)(S[5]C[5]){1|Cu<4>,1|C<3>,1|N<2>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	119.9615	0.093	2	119.9615	0.009	2	119.9307	0.007	3	119.3708	1.431	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]S[5])(N[5]C[5]Cu)(C[6]C[6]H)	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H)	C[5,6](N[5,6]C[6]S[5])(N[5]C[5]Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5]){1|Cu<4>,1|C<3>,1|N<2>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	119.8690	0.000	1	119.8690	0.000	1	119.9307	0.007	3	119.3708	1.431	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	N[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:C-3:	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]Co)(C[6]C[6]C)	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO)	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]Co)(C[6]C[6]C){1|C<3>,2|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]N[5]){1|Co<6>,1|H<1>,2|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>,2|N<2>}	119.6660	0.000	1	119.6660	0.000	1	119.4825	0.067	2	119.4825	0.067	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	N[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:C-3:	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]Mn)(C[6]C[6]C)	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO)	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]Mn)(C[6]C[6]C){1|C<3>,2|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]N[5]){1|Mn<6>,1|H<1>,2|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>,2|N<2>}	119.2990	0.000	1	119.2990	0.000	1	119.4825	0.067	2	119.4825	0.067	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6,6a]H)(H){1|C<4>,4|C<3>}	117.2255	0.144	2	117.2255	0.021	2	117.2255	0.021	2	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:B[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(B[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[5]C[6a]C[5])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	118.1060	0.000	1	118.1060	0.000	1	118.1060	0.000	1	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|Ru<6>,1|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|O<1>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	121.1950	0.006	2	121.1950	0.000	2	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Ru<6>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	121.3740	0.000	1	121.3740	0.000	1	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]Se)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]Se)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|Se<2>,1|C<3>,1|O<1>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,3|C<3>}	117.5095	0.418	2	117.5095	0.175	2	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Co<6>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.0825	0.170	2	117.7980	0.150	9	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Cu<5>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.2770	0.313	2	117.7980	0.150	9	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Fe<6>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.8070	0.000	1	117.7980	0.150	9	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Pt<4>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.6290	0.000	1	117.7980	0.150	9	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Re<6>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.7800	0.000	1	117.7980	0.150	9	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Ru<9>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Ru<9>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.1235	0.357	2	117.7980	0.150	9	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.0790	0.000	1	118.0790	0.000	1	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Cd<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.6153	0.154	3	119.5579	0.571	15	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Co<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.6940	0.000	1	119.5579	0.571	15	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Co<6>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.9250	0.771	2	119.5579	0.571	15	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.2600	0.400	2	119.5579	0.571	15	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.5160	0.000	1	119.5579	0.571	15	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.0495	0.456	2	119.5579	0.571	15	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<4>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Zn<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.1950	0.000	1	119.5579	0.571	15	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Zn<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.2163	1.220	3	119.5579	0.571	15	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cu<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Cu<3>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.0290	0.110	2	119.0290	0.012	2	119.0147	1.536	32	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:P[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5]N)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5]N){2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<3>,2|H<1>}	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H){2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	120.5295	0.122	2	120.5295	0.015	2	120.5295	0.015	2	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]Se)(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]Se)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H){1|Se<2>,4|C<3>}	118.6110	0.000	1	118.6110	0.000	1	118.6110	0.000	1	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]N[5]Ir)	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H)	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	N[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]N[5]Ir){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	115.5690	0.000	1	115.5690	0.000	1	116.4335	1.495	2	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]N[5]Rh)	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H)	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	N[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]N[5]Rh){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.2980	0.000	1	117.2980	0.000	1	116.4335	1.495	2	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:Cl-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]C[5]Re)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]C[5]Re){1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]C)(C[6]C[6]H){1|Re<6>,2|Cl<1>,2|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl){1|Cl<1>,1|Re<6>,3|C<3>}	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(N[5]N[5]C)	N[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]N[5]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(N[5]N[5]C){1|Rh<6>,1|C<4>,3|C<3>}	N[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]N[5]Rh){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.1690	0.000	1	123.1690	0.000	1	123.1690	0.000	1	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Co)(C[6]C[6]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Co)(C[6]C[6]H){1|C<3>,4|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H){1|Co<4>,1|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,3|C<3>}	119.1570	0.000	1	119.1570	0.000	1	119.2306	0.400	5	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Pt)(C[6]C[6]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Pt)(C[6]C[6]H){2|C<3>,3|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	118.2090	0.000	1	118.8565	0.839	2	119.2306	0.400	5	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Pt)(C[6]C[6]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Pt)(C[6]C[6]H){2|C<3>,3|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H){1|Pt<5>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,3|C<3>}	119.5040	0.000	1	118.8565	0.839	2	119.2306	0.400	5	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Ru)(C[6]C[6]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Ru)(C[6]C[6]H){2|C<3>,3|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	119.6415	0.374	2	119.6415	0.140	2	119.2306	0.400	5	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cu)(C[6]C[6]H)	N[5,6](C[5,6a]C[5a,6a]C[5,6a])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5a,6a]C[5,6a])(C[5,6]C[6]N[5])(C[6]C[6]H){1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[5]Ir)(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[5]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H){1|Ir<7>,1|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H){1|Ir<7>,4|C<3>}	120.2790	0.000	1	119.8775	0.322	2	119.8775	0.322	2	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[5]Ir)(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[5]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H){1|Ir<8>,1|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H){1|Ir<8>,4|C<3>}	119.4760	0.000	1	119.8775	0.322	2	119.8775	0.322	2	118.9788	2.148	51	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:S[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6a]S[6])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6a]S[6]){1|H<1>,1|O<1>,6|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a]){1|C<4>,1|H<1>,7|C<3>}	124.3420	0.000	1	124.3420	0.000	1	124.3420	0.000	1	124.3420	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6](N[5,6]C[6,6a]N[5])(C[6]C[6a]C[6])(C[5]C[5]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]Rh)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5,6](N[5,6]C[6,6a]N[5])(C[6]C[6a]C[6])(C[5]C[5]H){1|Rh<8>,1|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]Rh){2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	116.9880	0.000	1	116.9880	0.000	1	116.9880	0.000	1	118.3270	6.381	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6a]C[6])(N[5]C[5]Ir)	N[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]N[5])(C[5]C[5]Ir)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6a]C[6])(N[5]C[5]Ir){1|Ir<8>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]N[5])(C[5]C[5]Ir){1|Ir<8>,1|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2){1|Ir<8>,1|H<1>,6|C<3>}	116.8800	0.000	1	116.8800	0.000	1	116.8237	0.129	4	118.3270	6.381	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6a]C[6])(N[5]C[5]Pd)	N[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]N[5])(C[5]C[5]Pd)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6a]C[6])(N[5]C[5]Pd){1|Pd<4>,1|H<1>,1|H<2>,1|N<3>,3|C<3>}	N[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]N[5])(C[5]C[5]Pd){1|Pd<4>,1|H<2>,4|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2){1|Pd<4>,2|H<1>,6|C<3>}	116.8050	0.437	3	116.8050	0.191	3	116.8237	0.129	4	118.3270	6.381	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]C)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]C)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	121.8610	0.000	1	121.8610	0.000	1	122.0030	0.040	2	118.3270	6.381	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]Pd)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]Pd){1|N<2>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H){1|Pd<4>,1|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|Pd<4>,1|H<1>,6|C<3>}	122.1450	0.000	1	122.1450	0.000	1	122.0030	0.040	2	118.3270	6.381	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:N[6]-2:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]S)(C[6]N[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH)	C[6](C[5,6]N[5,6]C[5])(N[6]C[6,6a])(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]S)(C[6]N[6]H){3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH){1|N<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(N[6]C[6,6a])(H){1|S<4>,2|C<3>,2|C<4>}	116.0300	0.000	1	116.0300	0.000	1	116.0300	0.000	1	116.0300	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:B[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6a]H)(H){1|B<4>,4|C<3>}	121.3055	0.293	4	121.3055	0.086	4	120.9922	0.555	5	120.6424	2.402	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:B[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H){1|H<1>,2|C<4>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6a]H)(H){1|B<4>,4|C<3>}	119.7390	0.000	1	119.7390	0.000	1	120.9922	0.555	5	120.6424	2.402	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]C)(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]C)(C[6]C[6]H){3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH){4|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H){2|C<4>,3|C<3>}	117.5260	0.000	1	117.5260	0.000	1	117.5260	0.000	1	120.6424	2.402	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:N[5,5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:B[5]-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]B[5])(N[5,5]N[5,5]B[5])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]N[5,5]C[6])(B[5]N[5,5]FF)	C[6](C[5,6]N[5,5]N[5,6])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]B[5])(N[5,5]N[5,5]B[5])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|F<1>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]N[5,5]C[6])(B[5]N[5,5]FF){1|B<4>,1|H<1>,4|C<3>}	C[6](C[5,6]N[5,5]N[5,6])(C[6]C[6,6a]H)(H){1|N<3>,2|B<4>,2|C<3>}	122.0100	0.000	1	122.0100	0.000	1	122.0100	0.000	1	120.6424	2.402	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	3:3:2:	N[5,6]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:C[5,6]-3:C-2:	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(C[6]C[5,6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF)	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]N[5])(CN)	C[5,6](N[5,6]C[5,6a]B[6])(N[5]C[5,6a]H)(C[6]C[5,6]C){1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF){1|C<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]N[5])(CN){1|B<4>,1|H<1>,5|C<3>}	122.1800	0.000	1	122.1800	0.000	1	122.1800	0.000	1	122.1800	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:N[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6]C)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	120.7300	0.000	1	120.7300	0.000	1	120.5800	0.045	2	120.5800	0.045	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:N[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6a]C[6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6a]C[6])(CH3){1|C<4>,1|O<1>,5|C<3>}	120.4300	0.000	1	120.4300	0.000	1	120.5800	0.045	2	120.5800	0.045	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]ClH)(COO)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]C){2|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]ClH)(COO){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.3550	0.000	1	122.3550	0.000	1	122.3550	0.000	1	122.3550	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	4:3:2:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[6]-4:C[5,6]-3:C-2:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<2>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	122.9760	0.000	2	122.9760	0.000	2	122.9760	0.000	2	122.9877	0.000	3	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	4:3:2:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6]-4:C[5,6]-3:C-2:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(CN){1|C<4>,1|H<1>,5|C<3>}	123.0110	0.000	1	123.0110	0.000	1	123.0110	0.000	1	122.9877	0.000	3	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[6]-4:C[5,6]-3:C-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]C)(N[5]C[5]H){3|C<3>,5|H<1>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	123.1610	0.000	2	123.1610	0.000	2	123.1610	0.000	2	123.2593	0.029	3	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:3:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6]-4:C[5,6]-3:C-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(COO)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]C)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[5,6]N[5,6]N[5])(COO){1|C<4>,1|H<1>,5|C<3>}	123.4560	0.000	1	123.4560	0.000	1	123.4560	0.000	1	123.2593	0.029	3	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,5a]C[6])(B[5]C[5,5a]Br2)(C[6]C[6]H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|Br<1>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,5a]C[6])(B[5]C[5,5a]Br2)(C[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	119.7210	0.000	1	119.7210	0.000	1	119.6855	0.003	2	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,5a]C[6])(B[5]C[5,5a]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,5a]C[6])(B[5]C[5,5a]CC)(C[6]C[6]H){1|C<5>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<5>,1|S<2>,2|C<3>}	119.6500	0.000	1	119.6500	0.000	1	119.6855	0.003	2	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]Cl2)(C[6]C[6]P)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Cl<1>,1|P<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]Cl2)(C[6]C[6]P){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	120.5595	0.924	2	120.5595	0.854	2	119.8152	1.454	6	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]Cl2)(C[6]C[6a]C[6])	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Cl<1>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]Cl2)(C[6]C[6a]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	118.6290	1.300	2	118.6290	1.689	2	119.8152	1.454	6	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]Fe2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Fe<8>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]Fe2)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	120.2570	0.642	2	120.2570	0.412	2	119.8152	1.454	6	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Ge[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ge[5]N[5,6]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Ge[5]N[5,6]CC)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ge<4>,1|H<1>,1|N<3>,2|C<3>}	121.0155	0.108	2	121.0155	0.012	2	121.0155	0.012	2	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[5,5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(B[5,5]C[5,6a]3)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[5,5]C[5,6a]3)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	120.8190	0.000	1	120.8190	0.000	1	120.8190	0.000	1	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC)(C[6]C[6]N)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC)(C[6]C[6]N){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H)	N[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]Cl2)(C[6]C[5,6]H)	C[6](C[5,6]C[5,6a]N[5,6])(N[5,6]C[5,6]B[5])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H){2|Cl<1>,1|B<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]Cl2)(C[6]C[5,6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(N[5,6]C[5,6]B[5])(H){2|Cl<1>,1|B<4>,5|C<3>}	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]H)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|F<1>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(H){1|B<4>,5|C<3>}	122.3620	0.000	1	122.3620	0.000	1	122.3620	0.000	1	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]H)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]H){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	122.5293	0.791	3	122.5293	0.625	3	122.5293	0.625	3	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[3]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[3]C)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.0610	0.000	1	120.0610	0.000	1	120.0610	0.000	1	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:H-1:	C[5,6](N[5,6]B[6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]H)	N[5,6](C[5,6]C[5]C[6])(B[6]N[6,6]FF)(C[5]C[5]O)	C[6](C[5,6]N[5,6]C[5])(C[6,6]N[6,6]C[6])(H)	C[5,6](N[5,6]B[6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]H){1|N<3>,1|O<1>,2|F<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[6,6]FF)(C[5]C[5]O){1|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	123.2670	0.000	1	123.2670	0.000	1	123.2670	0.000	1	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	119.5500	0.000	1	119.5500	0.000	1	118.0560	4.464	2	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]OsC)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H){1|Os<5>,1|Os<6>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]OsC)(C[6]C[6]H){1|Os<5>,1|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	116.5620	0.000	1	116.5620	0.000	1	118.0560	4.464	2	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(Ga[5]O[5]OO)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[5,6](C[5,6]C[5]C[6])(Ga[5]O[5]OO)(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	120.7310	0.000	1	120.7310	0.000	1	118.9255	6.520	2	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(C[5]P[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(Ga[5]P[5]Cl2)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]P[5]H)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6])(Ga[5]P[5]Cl2)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|P<4>,2|H<1>}	117.1200	0.000	1	117.1200	0.000	1	118.9255	6.520	2	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:In[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(In[5]N[5]ClS)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]C[5]C[6])(In[5]N[5]ClS)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.0760	0.000	1	121.0760	0.000	1	121.0760	0.000	1	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6]P[5])(C[5]C[6a]O[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(P[5]O[5]CW)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]P[5])(C[5]C[6a]O[5])(C[6]C[6]H){1|C<4>,1|N<2>,1|W<6>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(P[5]O[5]CW)(C[6]C[6]H){2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	117.0720	0.078	2	117.0720	0.006	2	117.0720	0.006	2	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){2|C<3>,3|C<4>}	119.0450	0.000	1	119.0450	0.000	1	119.8042	0.350	4	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9820	0.000	1	119.9820	0.000	1	119.8042	0.350	4	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7260	0.000	1	119.7260	0.000	1	119.8042	0.350	4	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4640	0.000	1	120.4640	0.000	1	119.8042	0.350	4	120.0249	3.479	30	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]N[5])(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C){1|H<1>,1|O<1>,2|C<3>,2|F<1>,2|N<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]N[5])(CN){1|B<4>,1|H<1>,5|C<3>}	121.7400	0.000	1	121.7400	0.000	1	121.7895	0.005	2	121.4725	0.101	6	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|F<1>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(CN){1|B<4>,5|C<3>}	121.8390	0.000	1	121.8390	0.000	1	121.7895	0.005	2	121.4725	0.101	6	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	121.3140	0.257	4	121.3140	0.066	4	121.3140	0.066	4	121.4725	0.101	6	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6]-3:N[5,6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|O<1>,3|H<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	121.0450	0.000	1	121.0450	0.000	1	121.0450	0.000	1	119.4902	5.347	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]C)	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C){1|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,1|C<2>,2|C<4>,2|H<1>,5|C<3>}	119.6180	0.392	2	119.6180	0.153	2	120.2497	1.274	3	119.4902	5.347	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]O){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	121.5130	0.000	1	121.5130	0.000	1	120.2497	1.274	3	119.4902	5.347	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:N-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(NOO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(NOO){2|C<3>,3|C<4>}	115.6570	0.000	1	115.6570	0.000	1	115.6570	0.000	1	119.4902	5.347	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C){1|O<1>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|O<2>,5|C<3>}	120.5480	0.000	1	120.5480	0.000	1	120.5480	0.000	1	120.5480	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|S<4>,6|C<3>}	121.1580	0.000	1	121.6150	0.418	2	120.9750	0.832	5	120.9750	0.832	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|S<4>,2|H<1>,5|C<3>}	122.0720	0.000	1	121.6150	0.418	2	120.9750	0.832	5	120.9750	0.832	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|H<1>,1|S<4>,6|C<3>}	120.3615	1.156	2	120.5483	0.773	3	120.9750	0.832	5	120.9750	0.832	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	120.9220	0.000	1	120.5483	0.773	3	120.9750	0.832	5	120.9750	0.832	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	123.6150	0.000	1	123.6150	0.000	1	122.2832	0.810	5	122.2832	0.810	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	121.9700	0.000	1	121.5490	0.354	2	122.2832	0.810	5	122.2832	0.810	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,6|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|H<1>,3|C<4>}	121.1280	0.000	1	121.5490	0.354	2	122.2832	0.810	5	122.2832	0.810	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|C<4>,2|H<1>,4|C<3>}	122.2440	0.000	1	122.2440	0.000	1	122.2832	0.810	5	122.2832	0.810	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]S)	C[6](C[5,6]N[5,6]N[5])(C[6]C[5a]C[6]H)(CCO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,5|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[5a]C[6]H)(CCO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	122.4590	0.000	1	122.4590	0.000	1	122.2832	0.810	5	122.2832	0.810	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:4:4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]C)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]C){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3){1|H<1>,1|S<4>,5|C<3>}	122.1140	0.000	1	122.1140	0.000	1	122.1140	0.000	1	122.1140	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]N)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]N)(N[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	120.2335	0.103	4	120.2335	0.011	4	120.2335	0.011	4	120.2335	0.011	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:4:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:N[6]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]H){1|C<4>,7|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(O){3|C<4>,3|H<1>}	122.7430	0.000	1	122.7430	0.000	1	122.7430	0.000	1	122.7430	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:4:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	122.2910	0.000	2	122.2910	0.000	2	122.2910	0.000	2	122.2910	0.000	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:4:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:N-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<4>,1|O<2>,7|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO){2|H<1>,4|C<4>}	119.5185	1.122	2	119.5185	1.259	2	118.7302	1.337	4	118.7302	1.337	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:4:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:N-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)	C[6](C[5,6]N[5,6]N[5])(C[6]N[6]HH)(NOO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|N<3>,8|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH){1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]N[5])(C[6]N[6]HH)(NOO){5|C<4>}	117.9420	0.515	2	117.9420	0.265	2	118.7302	1.337	4	118.7302	1.337	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:5:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Si[5]-5:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CCO)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CCO)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<5>,1|H<1>,1|N<3>,2|C<3>}	121.9105	0.416	2	121.9105	0.173	2	121.8217	0.070	4	122.1640	0.441	6	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:5:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Si[5]-5:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]Cl3)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){3|Cl<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]Cl3)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<5>,1|H<1>,1|N<3>,2|C<3>}	121.7330	0.062	2	121.7330	0.004	2	121.8217	0.070	4	122.1640	0.441	6	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:5:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:In[5]-5:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]In[5])(C[5]O[5]O)(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(In[5]N[5]O[5]Cl2)(C[5,6]C[5]C[6])	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]In[5])(C[5]O[5]O)(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(In[5]N[5]O[5]Cl2)(C[5,6]C[5]C[6]){1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H){1|In<5>,1|O<1>,1|O<2>,2|C<3>}	122.8485	0.767	2	122.8485	0.589	2	122.8485	0.589	2	122.1640	0.441	6	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:6:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Ga[5]-6:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]F3O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){1|O<3>,3|C<3>,3|F<1>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]F3O)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	121.1900	0.559	2	121.1900	0.312	2	121.1900	0.312	2	121.1969	0.387	28	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:6:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:In[5]-6:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	121.1025	0.526	4	121.0926	0.139	8	120.9729	0.111	14	121.1969	0.387	28	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:6:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:In[5]-6:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	121.0828	0.219	4	121.0926	0.139	8	120.9729	0.111	14	121.1969	0.387	28	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:6:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:In[5]-6:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|C<4>,1|N<3>,2|C<3>}	120.9320	0.098	4	120.8133	0.041	6	120.9729	0.111	14	121.1969	0.387	28	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:6:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:In[5]-6:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|O<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|C<4>,1|N<3>,2|C<3>}	120.5760	0.098	2	120.8133	0.041	6	120.9729	0.111	14	121.1969	0.387	28	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:6:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Nb[5]-6:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Nb[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Nb[5]N[5,6]N3O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Nb[5]C[6])(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>,3|N<2>}	N[5,6](C[5,6]C[5,6]C[6])(Nb[5]N[5,6]N3O)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Nb<6>,1|H<1>,1|N<3>,2|C<3>}	121.3915	0.090	2	121.3915	0.008	2	121.3915	0.008	2	121.1969	0.387	28	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:6:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Si[5]-6:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CF3)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){1|C<2>,3|C<3>,3|F<1>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CF3)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	121.7530	0.092	2	121.7530	0.008	2	121.7530	0.008	2	121.1969	0.387	28	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:6:3:	3:3:1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:Ga[3x5]-6:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ga[3x5]N[5,6]5)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|C<3>,3|H<1>,4|N<3>}	N[5,6](C[5,6]C[5,6]C[6])(Ga[3x5]N[5,6]5)(C[6]C[6]H){11|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	121.1115	0.887	6	121.1115	0.787	6	121.1115	0.787	6	121.1969	0.387	28	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:6:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:In[5]-6:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(In[5]O[5]Cl3O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|Cl<1>,1|C<3>,1|O<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(In[5]O[5]Cl3O)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|O<1>,1|O<2>,2|C<3>}	121.5860	0.000	1	121.5860	0.000	1	121.5860	0.000	1	121.1969	0.387	28	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	3:6:3:	3:3:1:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:P[5]-6:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H)	N[5,6](C[5,6]N[5,6]C[6])(P[5]C[5,6]F4)(C[6]C[6]H)	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>,4|F<1>}	N[5,6](C[5,6]N[5,6]C[6])(P[5]C[5,6]F4)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H){1|H<1>,1|P<6>,3|C<3>}	122.9690	0.000	1	122.9690	0.000	1	122.9690	0.000	1	121.1969	0.387	28	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,5]-3:N[5,6]-3:C[6]-3:	Si[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](Si[5]N[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](Si[5]N[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.1673	1.338	3	117.1673	1.789	3	117.1673	1.789	3	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](B[5]C[5,5a]C[6a]2)(C[5,6]C[5,5a]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	N[5,6](B[5]C[5,5a]C[6a]2)(C[5,6]C[5,5a]C[6])(C[6]C[6]H){1|S<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	120.4360	0.000	1	120.4360	0.000	1	120.4360	0.000	1	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	B[5,6a]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H)	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	120.8145	1.108	2	120.8145	1.228	2	120.8145	1.228	2	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[6]H){1|B<3>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<3>,1|B<4>,3|C<3>}	120.5400	0.984	2	120.5118	0.391	11	120.5118	0.391	11	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[6]H){1|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,4|C<3>}	119.8480	0.003	2	120.5118	0.391	11	120.5118	0.391	11	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	120.6934	0.552	7	120.5118	0.391	11	120.5118	0.391	11	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H)	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)	C[6](C[5,6]C[5,6a]N[5,6])(N[5,6]C[5,6]B[5])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H){1|B<4>,2|H<1>,5|C<3>}	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H){1|H<1>,1|N<3>,7|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(N[5,6]C[5,6]B[5])(H){1|B<4>,7|C<3>}	118.3800	0.000	1	118.3800	0.000	1	118.3800	0.000	1	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H){1|C<4>,4|C<3>}	120.9090	0.000	1	120.9090	0.000	1	120.9205	0.134	8	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H){1|C<4>,4|C<3>}	121.0350	0.000	1	121.0350	0.000	1	120.9205	0.134	8	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H){1|C<4>,4|C<3>}	120.8640	0.000	1	120.8640	0.000	1	120.9205	0.134	8	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H){1|C<4>,4|C<3>}	121.0565	0.817	2	121.0565	0.667	2	120.9205	0.134	8	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H){1|C<4>,4|C<3>}	120.8143	0.305	3	120.8143	0.093	3	120.9205	0.134	8	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	B[4,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[4,5]C[6])(C[5]C[4,5]C[6a])(C[6]C[6]H)	N[5,6](B[4,5]C[4,5]C[6a]O[4])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[4,5]C[6])(C[5]C[4,5]C[6a])(C[6]C[6]H){1|O<2>,2|H<1>,6|C<3>}	N[5,6](B[4,5]C[4,5]C[6a]O[4])(C[5,6]C[5]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	115.3470	0.000	1	115.3470	0.000	1	115.3470	0.000	1	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	B[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<3>,5|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	120.9555	0.220	2	120.9776	0.041	5	120.9776	0.041	5	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	B[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]H){1|Si<4>,1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	121.0150	0.000	1	120.9776	0.041	5	120.9776	0.041	5	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	B[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	120.9810	0.334	2	120.9776	0.041	5	120.9776	0.041	5	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	B[5,6a]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5,6a]C[6])(C[5]N[5,6a]O)(C[6]C[6]H)	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,6a]C[6])(C[5]N[5,6a]O)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	122.1570	0.000	1	122.1570	0.000	1	122.1570	0.000	1	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	N[5,6](B[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	N[5,6](B[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	119.9000	0.000	1	119.9000	0.000	1	119.8780	0.001	2	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	N[5,6](B[5]C[6a]C[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Cl<1>,2|H<1>,5|C<3>}	N[5,6](B[5]C[6a]C[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	119.8560	0.000	1	119.8560	0.000	1	119.8780	0.001	2	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:N[6]-3:O-1:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]N[6]O)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]N[5,6]C[5])(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]O){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[5]C[6])(C[5]N[5]Cu)	C[6](C[5,6]N[5,6]C[5])(C[6]C[5,6]C)(H)	C[5,6](N[5,6]C[5,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Fe<10>,1|Cu<2>,1|C<3>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[5]C[6])(C[5]N[5]Cu){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[5,6]C)(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.7215	0.173	2	120.7215	0.030	2	120.7215	0.030	2	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|Au<2>,1|C<4>,1|H<1>,3|C<3>}	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|Au<2>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.5470	0.000	1	118.5470	0.000	1	118.7830	1.088	3	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N)(C[6]C[6]H)	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N)(C[6]C[6]H){3|C<3>,4|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	117.8780	0.000	1	117.8780	0.000	1	118.7830	1.088	3	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Au<2>,1|C<4>,1|H<1>,5|C<3>}	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|Au<2>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.9240	0.000	1	119.9240	0.000	1	118.7830	1.088	3	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,6]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	N[5,6](Ga[5,5]N[5,6]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|N<3>,2|H<1>}	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Si[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Si[5,5]N[5,6]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	N[5,6](Si[5,5]N[5,6]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	117.7650	0.061	2	117.7650	0.004	2	117.7650	0.004	2	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Si[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5,6]C[6])(C[5]C[6a]O[5])(C[6]C[6]H)	N[5,6](Si[5,6]N[6]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,6]C[6])(C[5]C[6a]O[5])(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	N[5,6](Si[5,6]N[6]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	116.1770	0.000	1	116.1770	0.000	1	116.1770	0.000	1	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6]-3:N[5]-3:	B[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5,6,6]C[6])(C[6]C[6]H)(N[5]C[5]C)	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[6]C[6]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|C<3>,1|F<1>,5|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|F<1>,2|C<4>}	120.5780	0.000	1	120.5780	0.000	1	120.5780	0.000	1	119.9486	2.478	46	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:C-4:	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]N[5,6]C)	N[5,6](B[5]C[6a]C[5]Cl)(C[5,6]C[5]C[6])(C[6]C[5,6]C)	C[6](C[5,6]N[5,6]C[5])(N[5,6]C[5,6]B[5])(CH3)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]N[5,6]C){1|Cl<1>,1|B<4>,1|C<4>,5|C<3>}	N[5,6](B[5]C[6a]C[5]Cl)(C[5,6]C[5]C[6])(C[6]C[5,6]C){1|C<4>,1|N<3>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(N[5,6]C[5,6]B[5])(CH3){1|Cl<1>,1|B<4>,6|C<3>}	118.8450	0.071	3	118.8450	0.005	3	118.8450	0.005	3	118.8450	0.005	3	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	3:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-3:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){2|C<3>,6|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<4>}	122.2940	0.000	1	122.2940	0.000	1	122.2940	0.000	1	122.2940	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:S[5]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6]C[6]H)	N[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6]C[6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	121.4430	0.849	2	121.4430	0.720	2	121.4430	0.720	2	121.4430	0.720	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,7|H<1>}	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|N<3>,2|H<1>,3|C<4>}	123.5230	0.000	1	123.5230	0.000	1	124.1560	0.801	2	124.1560	0.801	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|H<1>,3|C<3>,3|C<4>}	124.7890	0.000	1	124.7890	0.000	1	124.1560	0.801	2	124.1560	0.801	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C)	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO){1|C<3>,2|H<1>,5|C<4>}	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	118.6534	0.920	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	N[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){4|H<1>,5|C<4>}	120.0010	0.000	1	120.0010	0.000	1	118.9430	0.668	4	118.6534	0.920	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){1|C<3>,2|H<1>,5|C<4>}	119.0590	0.000	1	118.8580	0.081	2	118.9430	0.668	4	118.6534	0.920	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){1|N<3>,2|H<1>,5|C<4>}	118.6570	0.000	1	118.8580	0.081	2	118.9430	0.668	4	118.6534	0.920	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[6,6]O[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|O<2>,2|C<4>,6|H<1>}	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]O[6,6]C[6]H)(C[5,6]N[5,6]N[5])(NOO){2|H<1>,5|C<4>}	118.0550	0.000	1	118.0550	0.000	1	118.9430	0.668	4	118.6534	0.920	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[3x5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:N[6]-2:H-1:	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]C)(C[6]N[6]H)	N[5,6](Ga[3x5]N[5,5]N[5]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(N[6]C[6])(H)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]C)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|S<2>}	N[5,6](Ga[3x5]N[5,5]N[5]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>,3|N<2>}	C[6](C[5,6]N[5,6]C[5])(N[6]C[6])(H){1|Ga<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.0470	0.000	1	120.0470	0.000	1	120.0470	0.000	1	120.0470	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	In[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5a]N[5,5,5a]C[5a])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	N[5,6](In[5,5]N[5,5,5a]N[5,6]ClIr)(C[5,6]C[5,5a]C[6])(C[6]C[6]P)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5a]N[5,5,5a]C[5a])(N[5,6]In[5,5]C[6])(C[6]C[6]H){1|Cl<1>,1|Ir<5>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	N[5,6](In[5,5]N[5,5,5a]N[5,6]ClIr)(C[5,6]C[5,5a]C[6])(C[6]C[6]P){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	119.9045	0.697	4	119.9045	0.486	4	119.9045	0.486	4	120.7927	0.570	21	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	121.4275	0.753	2	121.4275	0.567	2	121.4611	0.246	8	120.7927	0.570	21	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]ClPd)(C[5,6]C[5,6]C[6])(C[6]C[6]P)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|Cl<1>,1|Pd<4>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]ClPd)(C[5,6]C[5,6]C[6])(C[6]C[6]P){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	121.0770	0.024	2	121.0770	0.001	2	121.4611	0.246	8	120.7927	0.570	21	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]FF)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]FF)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	121.7525	0.172	2	121.7525	0.030	2	121.4611	0.246	8	120.7927	0.570	21	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]II)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|I<1>,3|C<3>,3|H<1>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]II)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	121.5875	0.790	2	121.5875	0.624	2	121.4611	0.246	8	120.7927	0.570	21	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	In[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	N[5,6](In[5,5]N[5,5,6]N[5,6]Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]P)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|N<3>,1|P<3>,2|H<1>,3|C<3>}	N[5,6](In[5,5]N[5,5,6]N[5,6]Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]P){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	120.4595	0.071	2	120.4595	0.005	2	120.4595	0.005	2	120.7927	0.570	21	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.0660	0.000	1	121.0660	0.000	1	120.7143	0.160	6	120.7927	0.570	21	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){2|Cl<1>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	121.0440	0.000	1	121.0440	0.000	1	120.7143	0.160	6	120.7927	0.570	21	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,6]N[5]2Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](Ga[5,5]N[5,6]N[5]2Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|N<3>,2|H<1>}	120.8650	0.000	1	120.8650	0.000	1	120.7143	0.160	6	120.7927	0.570	21	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,6]N[5]2O)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|O<3>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](Ga[5,5]N[5,6]N[5]2O)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|N<3>,2|H<1>}	120.8900	0.000	1	120.8900	0.000	1	120.7143	0.160	6	120.7927	0.570	21	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,6]N[5]2S)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](Ga[5,5]N[5,6]N[5]2S)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|N<3>,2|H<1>}	120.2105	0.084	2	120.2105	0.007	2	120.7143	0.160	6	120.7927	0.570	21	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]Se[5]Br2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|Se<2>,2|Br<1>,1|C<3>,1|N<2>,2|H<1>}	N[5,6](In[5,5]N[5,5]Se[5]Br2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.1350	0.000	1	120.1350	0.000	1	120.1350	0.000	1	120.7927	0.570	21	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[5,5]-3:N[5,6]-3:C[6]-3:	In[5,6]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5]N[5,5,6]C[5])(N[5,6]In[5,6]C[6])(C[6]C[6]H)	N[5,6](In[5,6]N[5,5,6]N[5,6]Cl2O)(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5]N[5,5,6]C[5])(N[5,6]In[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	N[5,6](In[5,6]N[5,5,6]N[5,6]Cl2O)(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	121.5180	0.000	1	121.5180	0.000	1	121.5180	0.000	1	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	Si[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5a]N[5,5a]N[5a])(N[5,6]Si[5,5]C[6])(C[6]C[6]H)	N[5,6](Si[5,5]N[5,5a]2N[5,6]NN)(C[5,6]C[5,5a]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5a]N[5,5a]N[5a])(N[5,6]Si[5,5]C[6])(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,4|N<2>}	N[5,6](Si[5,5]N[5,5a]2N[5,6]NN)(C[5,6]C[5,5a]C[6])(C[6]C[6]H){2|H<1>,3|N<2>,4|C<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Br3)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Br3)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	121.3385	0.199	2	121.3385	0.039	2	121.4873	0.086	6	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Cl3)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Cl3)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	121.4275	0.105	2	121.4275	0.011	2	121.4873	0.086	6	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]F3)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|F<1>,3|H<1>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]F3)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	121.6960	0.491	2	121.6960	0.241	2	121.4873	0.086	6	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	N[5,6](In[5,5]N[5,5,6]N[5,6]Cl2Pd)(C[5,6]C[5,6]C[6])(C[6]C[6]P)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){1|Pd<4>,2|Cl<1>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	N[5,6](In[5,5]N[5,5,6]N[5,6]Cl2Pd)(C[5,6]C[5,6]C[6])(C[6]C[6]P){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	119.5280	0.339	2	119.5280	0.115	2	120.2290	0.701	4	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	N[5,6](In[5,5]N[5,5,6]N[5,6]Cl3)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](In[5,5]N[5,5,6]N[5,6]Cl3)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	120.9300	0.144	2	120.9300	0.021	2	120.2290	0.701	4	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	P[3x5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]P[3x5]C[6])(C[6]C[6]H)	N[5,6](P[3x5]N[5,5,6]N[5,6]C[6a]O[5]2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]P[3x5]C[6])(C[6]C[6]H){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	N[5,6](P[3x5]N[5,5,6]N[5,6]C[6a]O[5]2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,9|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>,2|C<3>}	121.7300	0.280	2	121.7300	0.078	2	121.7300	0.078	2	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	Si[5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](Si[5]N[5,6]Cl2HH)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|Cl<1>,3|C<3>,5|H<1>}	N[5,6](Si[5]N[5,6]Cl2HH)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	121.1225	0.397	2	121.1225	0.157	2	121.6156	0.218	7	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	Si[5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>,4|N<2>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	121.6477	0.097	3	121.8128	0.117	5	121.6156	0.218	7	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[5,6]-3:N[5,6]-3:C[6]-3:	Si[5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|N<2>,4|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	122.0605	0.494	2	121.8128	0.117	5	121.6156	0.218	7	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5,6]-3:C[6]-3:	Ga[4,5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[4,5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,6](Ga[4,5,5]N[5,6]3O[4]2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[4,5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|N<3>,2|O<2>,3|C<3>,3|H<1>}	N[5,6](Ga[4,5,5]N[5,6]3O[4]2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|Ga<6>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	121.4863	0.916	15	121.4863	0.839	15	121.4863	0.839	15	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5,6]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5,5,6]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5,6]N[5,6]3O[6]2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5,6]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|N<3>,2|O<2>,3|C<3>,3|H<1>}	N[5,6](Ga[5,5,6]N[5,6]3O[6]2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,9|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	121.3925	0.193	4	121.3925	0.037	4	121.3925	0.037	4	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5,6]-3:C[6]-3:	In[3x5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,6](In[3x5]N[5,6]O[5]4)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|C<3>,3|H<1>,4|O<2>}	N[5,6](In[3x5]N[5,6]O[5]4)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	120.3090	0.441	2	120.3090	0.195	2	120.3090	0.195	2	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5,6]-3:C[6]-3:	Si[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,2|N<3>,3|C<3>,3|H<1>}	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	121.2177	0.314	3	121.2177	0.099	3	121.2177	0.099	3	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[4x5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](Ga[4x5]N[5,5]2N[5,6]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|S<2>}	N[5,6](Ga[4x5]N[5,5]2N[5,6]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,2|N<2>,6|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.0890	0.233	2	121.0890	0.054	2	120.8978	0.071	4	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[4x5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	N[5,6](Ga[4x5]N[5,5]2N[5,6]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,2|N<3>,2|S<2>,3|C<3>}	N[5,6](Ga[4x5]N[5,5]2N[5,6]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){2|H<1>,2|N<2>,7|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	120.7065	0.115	2	120.7065	0.013	2	120.8978	0.071	4	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[3x5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H)	N[5,6](In[3x5]N[5,6]2O[5]3)(C[5,6]C[5]C[6])(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	N[5,6](In[3x5]N[5,6]2O[5]3)(C[5,6]C[5]C[6])(C[6]C[6]C){1|O<1>,2|H<1>,7|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	121.7363	0.896	3	121.7363	0.803	3	121.7363	0.803	3	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[4x5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](In[4x5]N[5,5]2N[5,6]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|S<2>}	N[5,6](In[4x5]N[5,5]2N[5,6]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,2|N<2>,6|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.6137	0.687	4	120.6137	0.473	4	120.6137	0.473	4	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]S[5]Br2O)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Br<1>,1|C<3>,1|N<2>,1|O<3>,1|S<2>,2|H<1>}	N[5,6](In[5,5]N[5,5]S[5]Br2O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.6840	0.000	1	120.6840	0.000	1	120.7840	0.295	6	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]S[5]Cl2O)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|H<1>}	N[5,6](In[5,5]N[5,5]S[5]Cl2O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.6310	0.000	1	120.2355	0.313	2	120.7840	0.295	6	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]S[5]Cl2O)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|O<3>,1|S<2>,2|H<1>}	N[5,6](In[5,5]N[5,5]S[5]Cl2O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.8400	0.000	1	120.2355	0.313	2	120.7840	0.295	6	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]S[5]Cl2S)(C[5,6]C[5]C[6])(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|S<2>}	N[5,6](In[5,5]N[5,5]S[5]Cl2S)(C[5,6]C[5]C[6])(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.0830	0.106	2	121.0830	0.011	2	120.7840	0.295	6	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]H)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]S[5]Cl3)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]H)(C[6]C[6]H){3|Cl<1>,1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[5,6](In[5,5]N[5,5]S[5]Cl3)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<3>,2|H<1>}	121.3830	0.000	1	121.3830	0.000	1	120.7840	0.295	6	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](In[5]N[5]O[5]Cl3)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]H)(C[6]C[6]H){3|Cl<1>,1|O<3>,2|C<3>,2|H<1>}	N[5,6](In[5]N[5]O[5]Cl3)(C[5,6]C[5]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<3>,2|H<1>}	122.0560	0.000	1	122.0560	0.000	1	122.0560	0.000	1	121.2428	0.563	63	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	6:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:C-3:	C[5,6](N[5,6]In[5,5]C[6])(C[5]O[5]O)(C[6]C[6]C)	N[5,6](In[5,5]N[5,6]O[5]2OO)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(COO)	C[5,6](N[5,6]In[5,5]C[6])(C[5]O[5]O)(C[6]C[6]C){1|C<3>,1|N<3>,1|O<3>,2|H<1>,2|O<2>}	N[5,6](In[5,5]N[5,6]O[5]2OO)(C[5,6]C[5]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(COO){1|In<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	121.4350	0.257	2	121.4350	0.066	2	121.4350	0.066	2	121.4350	0.066	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:3:	7:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[3x5]-7:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H)	N[5,6](In[3x5]N[5,5,6]O[5]3OO)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,2|O<3>}	N[5,6](In[3x5]N[5,5,6]O[5]3OO)(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:N[5,6]-3:C[5]-4:	C[3x6]-3:C[5,6]-3:C[5]-4:	P[3x6]-3:C[5,6]-3:C[3x6]-4:	C[5,6](C[6]C[3x6]P[3x6])(N[5,6]C[3x6]C[5])(C[5]C[5]CC)	N[5,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(C[3x6]C[6,6]3)	C[5,6](C[6]C[3x6]P[3x6])(N[5,6]C[3x6]C[5])(C[5]C[5]CC){1|C<3>,2|H<1>,7|C<4>}	N[5,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<3>,1|P<3>,2|H<1>,6|C<4>}	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(C[3x6]C[6,6]3){2|C<3>,8|H<1>,9|C<4>}	121.0020	0.000	1	121.0020	0.000	1	121.0020	0.000	1	120.9540	0.005	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:4:	3:3:4:	3:3:4:	N[5,6]-3:C[6]-3:C[5]-4:	C[3x6]-3:C[5,6]-3:C[5]-4:	P[3x6]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]C[3x6]C[5])(C[6]P[3x6]C)(C[5]C[5]CC)	N[5,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(CC3)	C[5,6](N[5,6]C[3x6]C[5])(C[6]P[3x6]C)(C[5]C[5]CC){1|C<3>,2|H<1>,4|C<4>}	N[5,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<3>,1|P<3>,2|H<1>,6|C<4>}	C[6](P[3x6]C[4x6]C[6,6])(C[5,6]N[5,6]C[5])(CC3){2|C<3>,2|H<1>,6|C<4>}	120.9060	0.000	1	120.9060	0.000	1	120.9060	0.000	1	120.9540	0.005	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]CC)	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]CC){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|B<4>,3|C<4>,4|C<3>}	121.8900	0.000	1	121.8900	0.000	1	121.6623	0.201	3	121.6375	0.136	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH)	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|C<4>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|Br<1>,1|B<4>,1|C<4>,2|H<1>,3|C<3>}	121.9510	0.000	1	121.9510	0.000	1	121.6623	0.201	3	121.6375	0.136	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH)	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|F<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|Br<1>,1|B<4>,1|C<4>,2|H<1>,3|C<3>}	121.1460	0.000	1	121.1460	0.000	1	121.6623	0.201	3	121.6375	0.136	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(C[5]C[5]HH)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	121.5630	0.000	1	121.5630	0.000	1	121.5630	0.000	1	121.6375	0.136	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:3:4:	3:4:3:	3:3:3:	C[6]-3:N[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-3:C[5,6]-3:	C[5,6](C[6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[5]HH)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[5])	C[5,6](C[6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[5]){1|N<3>,3|C<4>,3|H<1>,5|C<3>}	122.0445	0.152	2	122.0445	0.023	2	122.0445	0.023	2	122.0445	0.023	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Fe<6>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.1150	0.000	1	120.1150	0.000	1	120.4000	0.162	2	121.0558	0.469	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Cd<5>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6850	0.000	1	120.6850	0.000	1	120.4000	0.162	2	121.0558	0.469	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<2>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H){1|C<2>,2|C<4>,3|C<3>}	121.9090	0.000	1	121.6475	0.137	2	121.6475	0.137	2	121.0558	0.469	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<3>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H){1|C<2>,2|C<4>,3|C<3>}	121.3860	0.000	1	121.6475	0.137	2	121.6475	0.137	2	121.0558	0.469	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CO)(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CO)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]H){1|Ru<6>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	121.1840	0.000	1	121.1840	0.000	1	121.1840	0.000	1	121.0558	0.469	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:3:3:	3:4:4:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH){1|C<4>,3|C<3>,3|H<1>}	122.2150	0.000	1	122.2150	0.000	1	122.2150	0.000	1	122.2150	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:B[5,5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5,5]C[6])(C[5]O[5]CH)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(B[5,5]O[5]3)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,5]C[6])(C[5]O[5]CH)(C[6]C[6]H){1|C<3>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[5]C[6])(B[5,5]O[5]3)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.8800	0.336	3	120.8800	0.113	3	120.8800	0.113	3	120.0139	1.326	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(B[5]N[5]HH)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6])(B[5]N[5]HH)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|N<3>,3|H<1>}	121.2390	0.000	1	121.2390	0.000	1	121.3330	0.018	2	120.0139	1.326	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(B[5]N[5]HO)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(B[5]N[5]HO)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|N<3>,3|H<1>}	121.4270	0.000	1	121.4270	0.000	1	121.3330	0.018	2	120.0139	1.326	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.8210	0.000	1	119.8210	0.000	1	119.8210	0.000	1	120.0139	1.326	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(Ga[5]N[5]II)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|I<1>,3|H<1>}	N[5,6](C[5,6]C[5]C[6])(Ga[5]N[5]II)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8010	0.000	1	120.4075	0.310	2	120.4075	0.310	2	120.0139	1.326	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(Ga[5]N[5]II)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|I<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6])(Ga[5]N[5]II)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.0140	0.000	1	120.4075	0.310	2	120.4075	0.310	2	120.0139	1.326	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]3)(C[6]C[6]H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]3)(C[6]C[6]H){2|Si<4>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,3|C<4>}	119.2240	0.000	1	119.2240	0.000	1	118.5080	0.641	3	120.0139	1.326	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]Cl2)(C[6]C[6]H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Cl<1>,1|C<3>,4|H<1>}	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]Cl2)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,3|C<4>}	117.6440	0.000	1	118.1500	0.512	2	118.5080	0.641	3	120.0139	1.326	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]Cl2)(C[6]C[6]H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Cl<1>,2|Si<4>,1|C<3>,2|H<1>}	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]Cl2)(C[6]C[6]H){2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,3|C<4>}	118.6560	0.000	1	118.1500	0.512	2	118.5080	0.641	3	120.0139	1.326	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:In[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	N[5,6](C[5,6]Si[5]C[6])(In[5]C[5]Cl2)(C[6]C[6]H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Cl<1>,2|Si<4>,1|C<3>,2|H<1>}	N[5,6](C[5,6]Si[5]C[6])(In[5]C[5]Cl2)(C[6]C[6]H){2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	118.9470	0.000	1	118.9470	0.000	1	119.3575	0.337	2	120.0139	1.326	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:In[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	N[5,6](C[5,6]Si[5]C[6])(In[5]C[5]II)(C[6]C[6]H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Si<4>,1|C<3>,2|H<1>,2|I<1>}	N[5,6](C[5,6]Si[5]C[6])(In[5]C[5]II)(C[6]C[6]H){2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	119.7680	0.000	1	119.7680	0.000	1	119.3575	0.337	2	120.0139	1.326	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:3:	3:3:4:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]C)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH){1|H<1>,3|C<4>,4|C<3>}	120.6540	0.000	1	120.6540	0.000	1	120.6540	0.000	1	120.6540	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:4:4:	3:4:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]CH)(CCO)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C){2|C<4>,7|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]CH)(CCO){3|C<4>,4|H<1>}	123.2870	0.000	1	123.2870	0.000	1	123.2870	0.000	1	123.2870	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:5:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:Si[5]-5:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6340	0.013	2	120.6340	0.000	2	121.0017	0.406	3	120.4074	0.865	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:5:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:Si[5]-5:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){3|Cl<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	121.7370	0.000	1	121.7370	0.000	1	121.0017	0.406	3	120.4074	0.865	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	3:5:3:	3:3:1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:Ga[5]-5:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]3Fe)(C[6]C[6]H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){1|Fe<11>,2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]Si[5]C[6])(Ga[5]C[5]3Fe)(C[6]C[6]H){2|Si<4>,1|C<3>,2|H<1>,6|C<4>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,3|C<4>}	119.5160	0.013	2	119.5160	0.000	2	119.5160	0.000	2	120.4074	0.865	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	B[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5,5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	N[5,6](B[5,5]C[5]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|B<3>,2|H<1>,2|O<2>}	N[5,6](B[5,5]C[5]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<3>,2|B<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	120.2875	0.785	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]GaH)(C[6]C[6]H)	N[5,6](B[5]C[6a]P[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]GaH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	N[5,6](B[5]C[6a]P[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]C){1|Ga<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|B<4>,1|C<3>,1|P<4>,2|H<1>}	119.7610	0.000	1	119.7610	0.000	1	120.6295	1.509	2	120.2875	0.785	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]HH)(C[6]C[6]H)	N[5,6](B[5]C[6a]P[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]HH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	N[5,6](B[5]C[6a]P[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	121.4980	0.000	1	121.4980	0.000	1	120.6295	1.509	2	120.2875	0.785	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	N[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	120.2875	0.785	4	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	Si[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Br)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Br)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	121.5800	0.000	1	121.5800	0.000	1	121.4026	0.034	7	121.4026	0.034	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	Si[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|Cl<1>,1|S<2>,2|H<1>,3|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	121.4710	0.146	2	121.4710	0.021	2	121.4026	0.034	7	121.4026	0.034	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	Si[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	N[5,6](Si[5,5]N[5,5]C[6a]S[5]N)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]N)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	121.3213	0.239	3	121.3213	0.057	3	121.4026	0.034	7	121.4026	0.034	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	Si[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	N[5,6](Si[5,5]N[5,5]S[5]CO)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	N[5,6](Si[5,5]N[5,5]S[5]CO)(C[5,6]C[5]C[6])(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	121.3320	0.000	1	121.3320	0.000	1	121.4026	0.034	7	121.4026	0.034	7	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	B[4x3,4x5,12x6]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[4x3,4x5,12x6]C[6])(C[5]C[3x3,4x5,12x6]HH)(C[6]C[6]H)	N[5,6](B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]H[3])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[4x3,4x5,12x6]C[6])(C[5]C[3x3,4x5,12x6]HH)(C[6]C[6]H){1|B<5>,1|C<3>,1|H<2>,2|H<1>,4|B<6>}	N[5,6](B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]H[3])(C[5,6]C[5]C[6])(C[6]C[6]H){1|B<5>,1|C<3>,4|B<6>,7|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	119.3280	0.000	1	119.3280	0.000	1	119.3280	0.000	1	121.0080	0.703	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	B[5x3,6x5,20x6]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]B[5x3,6x5,20x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(C[6]C[6]H)	N[5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5x3,6x5,20x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(C[6]C[6]H){1|C<3>,2|H<1>,6|B<6>}	N[5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<3>,5|B<6>,8|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	119.2720	0.000	1	119.2720	0.000	1	119.2720	0.000	1	121.0080	0.703	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	Ga[3x5,6,6]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>,2|N<4>,2|O<2>}	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H){3|C<3>,6|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	121.3460	0.006	2	121.3460	0.000	2	121.3460	0.000	2	121.0080	0.703	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	Ga[3x5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	N[5,6](Ga[3x5]N[5,5]2N[5,6]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,3|H<1>}	N[5,6](Ga[3x5]N[5,5]2N[5,6]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H){3|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	121.8000	0.231	2	121.8000	0.053	2	121.8000	0.053	2	121.0080	0.703	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	Ga[5,5,6,6]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5,5,6,6]C[6])(C[5]N[5,6]HH)(C[6]C[6]H)	N[5,6](Ga[5,5,6,6]N[5,6]3O[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5,6,6]C[6])(C[5]N[5,6]HH)(C[6]C[6]H){1|C<3>,1|S<4>,2|H<1>,2|N<3>,2|O<2>}	N[5,6](Ga[5,5,6,6]N[5,6]3O[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,2|S<4>,4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<3>,3|H<1>}	120.6575	0.158	2	120.6575	0.025	2	120.6575	0.025	2	121.0080	0.703	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	Ga[5x5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]Ga[5x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	N[5,6](Ga[5x5]N[3x5]2N[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	N[5,6](Ga[5x5]N[3x5]2N[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>,5|C<4>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	121.4420	0.000	1	121.4420	0.000	1	121.4420	0.000	1	121.0080	0.703	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	In[3x5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[3x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	N[5,6](In[3x5]N[3x5]N[5]2N[6]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[3x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,3|N<3>}	N[5,6](In[3x5]N[3x5]N[5]2N[6]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){2|S<4>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<4>,3|H<1>}	121.4780	0.000	1	121.4780	0.000	1	121.4780	0.000	1	121.0080	0.703	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	In[5,5,6,6]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5]O[5]HH)(C[6]C[6]H)	N[5,6](In[5,5,6,6]N[5,6]2O[5]O[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	N[5,6](In[5,5,6,6]N[5,6]2O[5]O[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H){2|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|O<2>,3|H<1>}	121.4155	0.185	2	121.4155	0.034	2	121.4155	0.034	2	121.0080	0.703	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:4:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-4:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]N[5,6]Br3)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){3|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5,6](In[5,5]N[5,5]N[5,6]Br3)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<4>,3|H<1>}	121.1460	0.000	1	121.1460	0.000	1	121.1460	0.000	1	121.0080	0.703	13	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	3:6:3:	3:3:3:	3:3:1:	N[5,6]-3:P[5]-6:C[6]-3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6]F4)(C[6]C[6]H)	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6]F4)(C[6]C[6]H){2|H<1>,3|C<3>}	N[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>,4|F<1>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|F<1>}	119.3640	0.000	1	119.3640	0.000	1	119.3640	0.000	1	119.3640	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	Ge[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.3070	0.000	1	120.3465	0.003	2	120.3465	0.003	2	120.5814	0.149	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	Ge[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<4>,2|C<4>}	120.3860	0.000	1	120.3465	0.003	2	120.3465	0.003	2	120.5814	0.149	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H){1|Ru<6>,1|N<2>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H){1|Ru<6>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.2180	0.000	1	120.2180	0.000	1	120.7380	0.205	3	120.5814	0.149	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]Os)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H){1|Os<6>,1|N<2>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]Os)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.9980	0.071	2	120.9980	0.005	2	120.7380	0.205	3	120.5814	0.149	5	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	4:3:3:	3:4:3:	3:4:3:	C[5,5]-4:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]C)	N[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]CH)(COO)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]C){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]CH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.2390	0.000	1	122.2390	0.000	1	122.2390	0.000	1	122.2390	0.000	1	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[5,6]-4:N[5,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6,6]N[6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]H)	N[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6,6]N[6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	N[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.6490	0.000	1	121.6490	0.000	1	121.6490	0.000	1	120.3525	3.362	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[5]-4:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.0560	0.000	1	119.0560	0.000	1	119.0560	0.000	1	120.3525	3.362	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[6]	4:3:3:	4:3:3:	3:3:4:	C[5,5]-4:N[5,6]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,5]C[5,5]C[5]Fe)(N[5,6]B[5]C[6])(C[6]C[6]C)	N[5,6](B[5]C[5,5]C[6a]Cl)(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(CH3)	C[5,6](C[5,5]C[5,5]C[5]Fe)(N[5,6]B[5]C[6])(C[6]C[6]C){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](B[5]C[5,5]C[6a]Cl)(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|Fe<10>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(CH3){1|Fe<10>,1|B<4>,1|C<3>,3|C<4>}	120.1970	0.048	2	120.1970	0.002	2	120.1970	0.002	2	120.1970	0.002	2	120.7934	5.730	519	120.7745	5.310	566
818	542	762	6:SP2_SP2_SP3	C[5,6,6]	N[5,6]	C[6,6]	4:3:3:	3:3:3:	3:4:4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:	C[5,6,6]-3:C[5,6a]-3:C[6]-3:	C[5,6,6]-3:C[6,6]-4:C[6]-4:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6])	N[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]){1|N<3>,1|O<1>,2|C<3>,4|C<4>,6|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	122.4620	0.000	1	122.4620	0.000	1	122.4620	0.000	1	122.4620	0.000	1	122.4620	0.000	1	121.6576	4.638	11
818	542	762	6:SP2_SP2_SP3	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C){1|O<1>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|O<2>,5|C<3>}	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	121.5772	5.075	10	121.6576	4.638	11
818	542	762	6:SP2_SP2_SP3	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|S<4>,2|H<1>,5|C<3>}	123.8160	0.000	1	123.8160	0.000	1	123.8160	0.000	1	123.8160	0.000	1	121.5772	5.075	10	121.6576	4.638	11
818	542	762	6:SP2_SP2_SP3	C[5,6]	N[5,6]	C[6]	3:3:3:	3:4:4:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	120.2930	0.000	2	120.2930	0.000	2	120.2930	0.000	2	120.2930	0.000	2	121.5772	5.075	10	121.6576	4.638	11
818	542	762	6:SP2_SP2_SP3	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	3:4:2:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C-2:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CN)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,2|C<3>,6|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,3|C<2>,3|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CN){1|H<1>,2|C<2>,2|C<3>,3|C<4>}	122.7450	0.000	1	122.7450	0.000	1	122.7450	0.000	1	122.7450	0.000	1	121.5772	5.075	10	121.6576	4.638	11
818	542	762	6:SP2_SP2_SP3	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|H<1>,3|C<3>,3|C<4>}	124.9240	0.000	1	124.9240	0.000	1	124.9240	0.000	1	124.9240	0.000	1	121.5772	5.075	10	121.6576	4.638	11
818	542	762	6:SP2_SP2_SP3	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C)	N[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[5,6]N)(N[5]C[5]C){1|O<2>,2|C<4>,6|H<1>}	N[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO){2|H<1>,5|C<4>}	117.3560	0.000	1	117.3560	0.000	1	117.3560	0.000	1	119.1935	6.753	2	121.5772	5.075	10	121.6576	4.638	11
818	542	762	6:SP2_SP2_SP3	C[5,6]	N[5,6]	C[6]	3:3:3:	4:3:4:	4:3:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6]N)(N[5]C[5]H)	N[5,6](C[6,6]C[5,6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[5,6]N[5,6]N[5])(NOO)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6]N)(N[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[6,6]C[5,6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[5,6]N[5,6]N[5])(NOO){1|H<1>,3|C<3>,4|C<4>}	121.0310	0.000	1	121.0310	0.000	1	121.0310	0.000	1	119.1935	6.753	2	121.5772	5.075	10	121.6576	4.638	11
818	542	762	6:SP2_SP2_SP3	C[5,6]	N[5,6]	C[6]	3:3:3:	4:4:3:	3:4:3:	N[5,6]-3:C[6]-3:N[5]-3:	C[5]-4:C[6]-4:C[5,6]-3:	C[5,6]-3:C[6]-4:N-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(NOO){1|C<3>,2|H<1>,3|C<4>}	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	121.5772	5.075	10	121.6576	4.638	11
818	542	762	6:SP2_SP2_SP3	C[5,6]	N[5,6]	C[6]	3:3:4:	4:3:4:	4:3:4:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS){2|C<4>,4|C<3>,6|H<1>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,3|H<1>}	123.8480	0.000	1	123.8480	0.000	1	123.8480	0.000	1	123.8480	0.000	1	121.5772	5.075	10	121.6576	4.638	11
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:3:	3:2:2:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O-2:O-2:	C[5](N[5]C[6a]C[5])2(BOO)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(OH)2	C[5](N[5]C[6a]C[5])2(BOO){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(OH)2	126.7678	0.612	4	126.7678	0.375	4	126.7678	0.375	4	126.7678	0.375	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-3:	C[6a]-3:B[5]-3:C[5]-3:	C[5]-3:B-3:H-1:	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(BBH)	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	B(C[5]C[5]N[5])(BPP)(H)	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(BBH){2|Si<4>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,1|H<1>,2|C<3>,2|C<4>}	B(C[5]C[5]N[5])(BPP)(H)	118.6770	0.000	1	118.6770	0.000	1	118.6770	0.000	1	127.6030	15.545	15	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:B-3:H-1:	C[5](N[5]C[6a]C[5])2(BBH)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(BC[5]H)(H)	C[5](N[5]C[6a]C[5])2(BBH){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(BC[5]H)(H)	128.5012	2.874	8	128.5012	8.262	8	128.5012	8.262	8	127.6030	15.545	15	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])2(BC[5]Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]C[5]N[5])(C[5]N[5]2)(Cl)	C[5](N[5]C[6a]C[5])2(BC[5]Cl){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]C[5]N[5])(C[5]N[5]2)(Cl)	128.3750	4.087	4	128.3750	16.703	4	128.3750	16.703	4	127.6030	15.545	15	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:3:	3:3:1:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N-3:Cl-1:	C[5](N[5]C[6a]C[5])2(BClN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(NCC)(Cl)	C[5](N[5]C[6a]C[5])2(BClN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(NCC)(Cl)	126.9290	4.501	2	126.9290	20.263	2	126.9290	20.263	2	127.6030	15.545	15	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:B-3:N-3:	C[5](N[5]C[6a]C[5])2(BBN)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	B(C[5]N[5]2)(BBrN)(NCC)	C[5](N[5]C[6a]C[5])2(BBN){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	B(C[5]N[5]2)(BBrN)(NCC)	127.1980	7.098	2	127.1980	50.381	2	127.1980	50.381	2	127.1980	50.381	2	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:1:1:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[5]C)2(BCl2)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(Cl)2	C[5](N[5]C[5]C)2(BCl2){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[5]N[5]2)(Cl)2	126.9045	0.279	2	126.9045	0.078	2	126.6242	0.185	6	126.6242	0.185	6	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:1:1:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[5]C)2(BCl2)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	B(C[5]N[5]2)(Cl)2	C[5](N[5]C[5]C)2(BCl2){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(Cl)2	126.2385	0.370	2	126.2385	0.137	2	126.6242	0.185	6	126.6242	0.185	6	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:1:1:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[5]C)2(BCl2)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	B(C[5]N[5]2)(Cl)2	C[5](N[5]C[5]C)2(BCl2){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	B(C[5]N[5]2)(Cl)2	126.7295	0.482	2	126.7295	0.232	2	126.6242	0.185	6	126.6242	0.185	6	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:B-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C)2(BC[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	B(C[5]C[5]N[5])(C[5]N[5]2)(H)	C[5](N[5]C[5,6a]C)2(BC[5]H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	B(C[5]C[5]N[5])(C[5]N[5]2)(H)	126.7300	2.922	2	126.7300	8.537	2	126.7300	8.537	2	127.3660	2.380	6	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[5]C)2(BC[5]Cl)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[5]C[5]N[5])(C[5]N[5]2)(Cl)	C[5](N[5]C[5]C)2(BC[5]Cl){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(Cl)	127.5770	1.324	2	127.5770	1.752	2	127.5770	1.752	2	127.3660	2.380	6	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:3:1:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C)2(BC[5]H)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[5]C[5]N[5])(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(BC[5]H){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(H)	127.7910	0.591	2	127.7910	0.349	2	127.7910	0.349	2	127.3660	2.380	6	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:3:2:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:B-2:	C[5](N[5]C[5]C)2(BC[5]B)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5])	C[5](N[5]C[5]C)2(BC[5]B){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5])	127.5240	2.488	2	127.5240	6.188	2	127.5240	6.188	2	127.0164	1.302	8	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:3:2:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-2:	C[5](N[5]C[5]C)2(BC[5]C)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	B(C[5]N[5]2)2(CN)	C[5](N[5]C[5]C)2(BC[5]C){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	B(C[5]N[5]2)2(CN)	126.9278	0.828	4	126.9278	0.685	4	126.9278	0.685	4	127.0164	1.302	8	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:3:2:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N-2:	C[5](N[5]C[5]C)2(BC[6a]N)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	B(C[6a]C[6a]2)(C[5]N[5]2)(NSi)	C[5](N[5]C[5]C)2(BC[6a]N){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	B(C[6a]C[6a]2)(C[5]N[5]2)(NSi)	126.6860	0.322	2	126.6860	0.104	2	126.6860	0.104	2	127.0164	1.302	8	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:3:3:	B-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](BC[6a]C[5])(N[5]C[5]C)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	C[5](BC[6a]C[5])(N[5]C[5]C)2{2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	126.6445	1.621	2	126.6445	2.629	2	127.3255	1.498	4	127.2849	6.897	14	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:3:3:	B-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](BC[6a]C[5])(N[5]C[5]C)2	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	C[5](BC[6a]C[5])(N[5]C[5]C)2{2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	128.0065	0.093	2	128.0065	0.009	2	127.3255	1.498	4	127.2849	6.897	14	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:B-3:	C[5](N[5]C[5]C)2(BC[5]B)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]2)	C[5](N[5]C[5]C)2(BC[5]B){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]2)	127.4338	4.388	4	127.4338	19.254	4	127.5555	10.731	8	127.2849	6.897	14	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:B-3:	C[5](N[5]C[5]C)2(BC[5]B)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]C)	C[5](N[5]C[5]C)2(BC[5]B){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]C)	127.9235	1.010	2	127.9235	1.021	2	127.5555	10.731	8	127.2849	6.897	14	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:B-3:	C[5](N[5]C[5]C)2(BC[5]B)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]H)	C[5](N[5]C[5]C)2(BC[5]B){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]H)	127.4310	3.997	2	127.4310	15.973	2	127.5555	10.731	8	127.2849	6.897	14	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](N[5]C[5]C)2(BC[5a]2)	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3)	B(C[5a]C[5a]S[5a])2(C[5]N[5]2)	C[5](N[5]C[5]C)2(BC[5a]2){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3){2|C<4>}	B(C[5a]C[5a]S[5a])2(C[5]N[5]2)	126.1215	2.599	2	126.1215	6.753	2	126.1215	6.753	2	127.2849	6.897	14	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:4:1:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:S-1:	C[5](N[5]C[5]C)2(BCS)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CC3)(S)	C[5](N[5]C[5]C)2(BCS){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(CC3)(S)	126.9680	0.402	2	126.9680	0.161	2	126.9680	0.161	2	127.0355	0.060	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	3:4:1:	N[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:Se-1:	C[5](N[5]C[5]C)2(BSeC)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	B(C[5]N[5]2)(CC3)(Se)	C[5](N[5]C[5]C)2(BSeC){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	B(C[5]N[5]2)(CC3)(Se)	127.1030	0.030	2	127.1030	0.001	2	127.1030	0.001	2	127.0355	0.060	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:3:4:	5:3:2:	B-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3x3,4,3x5,14x6]-5:C[5]-3:N-2:	C[5](BC[3x3,4,3x5,14x6]N)(N[5]C[5]C)2	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]N[5]2)(NSi)	C[5](BC[3x3,4,3x5,14x6]N)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]N[5]2)(NSi)	126.2770	0.822	2	126.2770	0.675	2	126.2770	0.675	2	126.2770	0.675	2	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:4:3:	3:3:1:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	B-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])2(BBH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(BB[5a]C[5])(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(BBH){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(BB[5a]C[5])(C[5]N[5]2)(H)	123.7690	0.000	1	123.7690	0.000	1	123.7690	0.000	1	124.7570	13.271	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:4:3:	3:3:1:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:B-3:H-1:	C[5](N[5]C[6a]C[5])2(BBH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(C[5]N[5]2)(BC[5]P)(H)	C[5](N[5]C[6a]C[5])2(BBH){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(C[5]N[5]2)(BC[5]P)(H)	126.0355	5.754	2	126.0355	33.105	2	126.0355	33.105	2	124.7570	13.271	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:4:3:	3:3:1:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])2(BC[5]Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(C[5]C[5]N[5])(C[5]N[5]2)(Cl)	C[5](N[5]C[6a]C[5])2(BC[5]Cl){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(C[5]C[5]N[5])(C[5]N[5]2)(Cl)	123.1880	0.000	1	123.1880	0.000	1	123.1880	0.000	1	124.7570	13.271	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:4:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	B[5a]-3:B-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(BB[5a]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(B[5a]O[5a]2)(BB[5a]C[5])(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(BB[5a]B){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(B[5a]O[5a]2)(BB[5a]C[5])(C[5]N[5]2)	125.8020	0.911	2	125.8020	0.829	2	125.8020	0.829	2	125.4058	1.752	6	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:4:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	B[5a]-3:C[5]-3:B-3:	C[5](N[5]C[6a]C[5])2(BB[5a]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(B[5a]O[5a]2)(C[5]N[5]2)(BC[5]H)	C[5](N[5]C[6a]C[5])2(BB[5a]B){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(B[5a]O[5a]2)(C[5]N[5]2)(BC[5]H)	124.5910	0.000	1	124.5910	0.000	1	124.5910	0.000	1	125.4058	1.752	6	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:4:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:B-3:N-3:	C[5](N[5]C[6a]C[5])2(BBN)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(C[5]N[5]2)(BBrN)(NCC)	C[5](N[5]C[6a]C[5])2(BBN){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(C[5]N[5]2)(BBrN)(NCC)	125.0415	2.474	2	125.0415	6.122	2	125.0415	6.122	2	125.4058	1.752	6	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:3:3:	3:4:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:P-3:B-3:	C[5](N[5]C[6a]C[5])2(BBP)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(C[5]N[5]2)(PC[6a]2)(BC[5]H)	C[5](N[5]C[6a]C[5])2(BBP){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(C[5]N[5]2)(PC[6a]2)(BC[5]H)	126.1570	0.000	1	126.1570	0.000	1	126.1570	0.000	1	125.4058	1.752	6	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[6a]-3:B[5]-3:C[5]-3:	C[3]-3:C[5]-3:Br-1:	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BC[3]Br)	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	B(C[3]B[3]N[3])(C[5]C[5]N[5])(Br)	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BC[3]Br){2|Si<4>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	B(C[3]B[3]N[3])(C[5]C[5]N[5])(Br)	129.9580	0.000	1	129.9580	0.000	1	129.9580	0.000	1	129.9580	0.000	1	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:1:1:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(Cl)2	125.4680	0.000	1	125.4680	0.000	1	125.4680	0.000	1	125.4680	0.000	1	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:2:3:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:Se-2:B-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BSeB)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(SeC[6a])(BNN)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BSeB){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(SeC[6a])(BNN)	129.4810	0.701	2	129.4810	0.492	2	129.4810	0.492	2	129.4810	0.492	2	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[3]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[3]H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[3]C[3]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[3]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[3]C[3]2)(H)	121.3570	0.000	1	121.3570	0.000	1	121.3570	0.000	1	124.3768	21.620	13	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[5]N[5]2)(Cl)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]Cl){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(Cl)	128.2250	1.287	4	128.2250	1.655	4	128.2250	1.655	4	124.3768	21.620	13	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:F-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]F)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])2(F)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]F){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])2(F)	118.7572	1.836	4	118.7572	3.370	4	118.7572	3.370	4	124.3768	21.620	13	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(H)	124.5225	0.764	2	124.5225	0.584	2	124.5225	0.584	2	124.3768	21.620	13	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N-3:Br-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBrN)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(NCC)(Br)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBrN){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(NCC)(Br)	129.9590	0.000	1	129.9590	0.000	1	129.9590	0.000	1	124.3768	21.620	13	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:1:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClN)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(NSi2)(Cl)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClN){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(NSi2)(Cl)	128.6080	0.000	1	128.6080	0.000	1	128.6080	0.000	1	124.3768	21.620	13	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:2:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:B-3:C-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBC)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(BC[5]2)(CO)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBC){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(BC[5]2)(CO)	127.9370	0.000	1	127.9370	0.000	1	127.9370	0.000	1	127.1565	0.346	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:2:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:B-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5])	127.2530	0.000	1	127.2530	0.000	1	127.2530	0.000	1	127.1565	0.346	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:2:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	126.5840	0.000	1	126.5840	0.000	1	126.7180	0.036	2	127.1565	0.346	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:2:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CO)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(CO)	126.8520	0.000	1	126.8520	0.000	1	126.7180	0.036	2	127.1565	0.346	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:B-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]H)	128.0640	0.000	1	128.0640	0.000	1	128.0640	0.000	1	131.1215	4.667	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C[5]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	131.2210	0.000	1	131.2210	0.000	1	131.2210	0.000	1	131.1215	4.667	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:N[6]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]N[6])	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(N[6]C[6]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]N[6]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(N[6]C[6]2)	132.9660	0.000	1	132.9660	0.000	1	132.9660	0.000	1	131.1215	4.667	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:N[6]-3:B-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]B)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(N[6]C[6]2)(BNN)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]B){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(N[6]C[6]2)(BNN)	132.2350	0.000	1	132.2350	0.000	1	132.2350	0.000	1	131.1215	4.667	4	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP2	C[5]	N[5]	B	3:4:3:	3:4:3:	3:4:1:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:P-4:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClP)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(PC3)(Cl)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClP){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(PC3)(Cl)	125.7150	2.383	2	125.7150	5.678	2	125.7150	5.678	2	125.7150	5.678	2	126.7914	9.646	98	126.7914	9.646	98
818	542	770	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:3:	3:4:3:	3:3:1:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	B-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])2(BBH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(BB[5a]C[5])(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(BBH){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(BB[5a]C[5])(C[5]N[5]2)(H)	130.1170	0.000	1	130.1170	0.000	1	130.1170	0.000	1	129.9135	0.083	2	126.9746	6.666	8	126.9746	6.666	8
818	542	770	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:3:	3:4:3:	3:3:1:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])2(BC[5]Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(C[5]C[5]N[5])(C[5]N[5]2)(Cl)	C[5](N[5]C[6a]C[5])2(BC[5]Cl){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(C[5]C[5]N[5])(C[5]N[5]2)(Cl)	129.7100	0.000	1	129.7100	0.000	1	129.7100	0.000	1	129.9135	0.083	2	126.9746	6.666	8	126.9746	6.666	8
818	542	770	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:3:	3:4:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	B[5a]-3:C[5]-3:B-3:	C[5](N[5]C[6a]C[5])2(BB[5a]B)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(B[5a]O[5a]2)(C[5]N[5]2)(BC[5]H)	C[5](N[5]C[6a]C[5])2(BB[5a]B){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(B[5a]O[5a]2)(C[5]N[5]2)(BC[5]H)	129.2520	0.000	1	129.2520	0.000	1	129.2520	0.000	1	128.5460	0.997	2	126.9746	6.666	8	126.9746	6.666	8
818	542	770	0:SP2_SP2_SP3	C[5]	N[5]	B	3:3:3:	3:4:3:	3:3:3:	N[5]-3:N[5]-3:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:P-3:B-3:	C[5](N[5]C[6a]C[5])2(BBP)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	B(C[5]N[5]2)(PC[6a]2)(BC[5]H)	C[5](N[5]C[6a]C[5])2(BBP){4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	B(C[5]N[5]2)(PC[6a]2)(BC[5]H)	127.8400	0.000	1	127.8400	0.000	1	127.8400	0.000	1	128.5460	0.997	2	126.9746	6.666	8	126.9746	6.666	8
818	542	770	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:B-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]2)	124.7700	0.157	2	124.7700	0.025	2	125.1440	0.432	3	124.7195	1.009	4	126.9746	6.666	8	126.9746	6.666	8
818	542	770	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:B-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[5]N[5]2)(BC[5]C)	125.8920	0.000	1	125.8920	0.000	1	125.1440	0.432	3	124.7195	1.009	4	126.9746	6.666	8	126.9746	6.666	8
818	542	770	0:SP2_SP2_SP3	C[5]	N[5]	B	3:4:3:	3:4:3:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C[5]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	B(C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]2)	123.4460	0.000	1	123.4460	0.000	1	123.4460	0.000	1	124.7195	1.009	4	126.9746	6.666	8	126.9746	6.666	8
818	542	778	5:SP2_SP2_SPD5	C[5]	N[5]	C[3x3,4x5,12x6]	5:3:2:	4:3:4:	6:6:5:6:3:	C[3x3,4x5,12x6]-5:N[5]-3:N-2:	Si[5,5]-4:C[5]-3:C-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,4x5,12x6]-5:B[4x3,3x5,12x6]-6:C[5]-3:	C[5](C[3x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(N[5]Si[5,5]C)(NC)	N[5](Si[5,5]C[3x3,4x5,12x6]C[5,6a]O[5])(C[5]C[3x3,4x5,12x6]N)(CCCH)	C[3x3,4x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2Si[5,5])(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[3]H)(C[5]N[5]N)	C[5](C[3x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6])(N[5]Si[5,5]C)(NC){1|B<4>,1|B<5>,1|C<3>,1|O<2>,3|H<1>,4|B<6>}	N[5](Si[5,5]C[3x3,4x5,12x6]C[5,6a]O[5])(C[5]C[3x3,4x5,12x6]N)(CCCH){1|B<5>,1|C<4>,2|C<3>,4|B<6>}	C[3x3,4x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2Si[5,5])(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[3]H)(C[5]N[5]N){1|B<6>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1
818	542	778	5:SP2_SP3_SPD5	C[5]	N[5]	C[3,5]	5:3:1:	3:3:4:	4:2:3:1:1:	C[3,5]-5:N[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[3,5]-4:H[3]-2:C[5]-3:H-1:H-1:	C[5](C[3,5]C[3,5]H[3]HH)(N[5]C[5]P)(H)	N[5](C[5]C[3,5]H)2(PC[6]NN)	C[3,5](C[3,5]C[5]H[3]H)(H[3]C[3,5])(C[5]N[5]H)(H)2	C[5](C[3,5]C[3,5]H[3]HH)(N[5]C[5]P)(H){2|H<1>}	N[5](C[5]C[3,5]H)2(PC[6]NN){1|H<2>,3|H<1>}	C[3,5](C[3,5]C[5]H[3]H)(H[3]C[3,5])(C[5]N[5]H)(H)2{1|H<1>,1|P<4>}	105.0970	0.000	1	105.0970	0.000	1	105.0970	0.000	1	105.0970	0.000	1	105.0970	0.000	1	105.0970	0.000	1
818	542	786	0:SP2_SP2_SP3	C[5,5]	N[5]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:N[5,5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H){8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(H){1|H<1>,6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	142.0400	0.000	1	142.0400	0.000	1	142.0400	0.000	1	142.0400	0.000	1	143.3469	11.772	9	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5,5]	N[5]	B[5]	4:3:3:	3:3:3:	3:3:4:1:	B[5]-4:N[5]-3:N[5,5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2)	N[5](C[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H)	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	140.2690	0.000	1	139.9533	0.092	3	139.9533	0.092	3	139.9533	0.092	3	143.3469	11.772	9	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5,5]	N[5]	B[5]	4:3:3:	3:3:3:	3:3:4:1:	B[5]-4:N[5]-3:N[5,5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2)	N[5](C[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H)	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	139.7955	0.185	2	139.9533	0.092	3	139.9533	0.092	3	139.9533	0.092	3	143.3469	11.772	9	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5,5]	N[5]	B[5]	4:3:3:	3:3:4:	3:3:3:3:	B[5]-4:N[5,5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C){8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3){1|H<1>,6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{1|H<1>,5|C<4>,8|C<3>}	140.7400	0.000	1	140.7400	0.000	1	140.7400	0.000	1	140.7400	0.000	1	143.3469	11.772	9	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5,5]	N[5]	B[5]	4:3:3:	3:3:4:	3:4:1:1:	B[5]-4:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-4:Br-1:Br-1:	C[5,5](B[5]C[5]Br2)(N[5,5]C[5]2)(N[5]C[5]C)	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(Br)2	C[5,5](B[5]C[5]Br2)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){2|Br<1>,1|H<1>,2|C<4>}	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(Br)2{2|C<3>,3|C<4>}	147.1040	0.557	3	147.1040	0.310	3	147.1040	0.310	3	147.1040	0.310	3	143.3469	11.772	9	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5,5]	N[5]	B[5]	4:3:3:	3:3:4:	3:4:4:1:	B[5]-4:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-4:C-4:Cl-1:	C[5,5](B[5]C[5]ClC)(N[5,5]C[5]2)(N[5]C[5]C)	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC3)(Cl)	C[5,5](B[5]C[5]ClC)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|Cl<1>,1|H<1>,3|C<4>}	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC3)(Cl){2|C<3>,3|C<4>}	146.1700	0.000	1	146.1700	0.000	1	146.1700	0.000	1	146.1700	0.000	1	143.3469	11.772	9	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5,5]	4:3:3:	3:3:4:	4:4:3:3:	B[5,5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5](B[5,5]C[5,5,6]2C[6a])(N[5]C[5]C)2	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3)	B[5,5](C[5,5,6]C[5,6]2C[6a])2(C[6a]C[6a]2)(C[5]N[5]2)	C[5](B[5,5]C[5,5,6]2C[6a])(N[5]C[5]C)2{2|H<1>,8|C<3>}	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	B[5,5](C[5,5,6]C[5,6]2C[6a])2(C[6a]C[6a]2)(C[5]N[5]2){12|C<3>,2|C<4>,2|H<1>}	127.8470	8.591	2	127.8470	73.811	2	127.8470	73.811	2	127.8470	73.811	2	127.8470	73.811	2	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	3:3:4:	3:3:3:	3:2:2:1:	C[5]-3:N[5]-3:B[5]-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:O[5]-2:O[5]-2:H-1:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H)	N[5](C[5]C[6a]N[5])(C[5]B[5]C[5])(C[6a]C[6a]2)	B[5](C[5]C[5]N[5])(O[5]C[5])2(H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H){2|C<4>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[5]B[5]C[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<2>,6|C<3>}	B[5](C[5]C[5]N[5])(O[5]C[5])2(H){1|N<3>,3|C<3>,4|C<4>}	120.6470	0.000	1	120.6470	0.000	1	120.6470	0.000	1	120.6470	0.000	1	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	3:3:4:	3:3:4:	3:3:3:1:	N[5]-3:N[5]-3:B[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])2(B[5]C[5]2H)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(B[5]C[5]2H){4|H<1>,8|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,5|C<3>}	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H){2|C<4>,8|C<3>}	125.8795	1.771	2	125.8795	3.138	2	125.8795	3.138	2	125.8795	3.138	2	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	3:4:4:	3:3:4:	3:2:2:2:	N[5]-3:B[5]-4:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:Se[5]-2:Se[5]-2:C-2:	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC)	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN)	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC){1|Se<2>,1|B<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|Se<2>,1|C<2>,2|C<3>,2|H<1>,4|C<4>}	B[5](C[5]C[5]N[5])(Se[5]Se[5])(Se[5]B[5])(CN){1|C<2>,2|C<3>,4|C<4>}	125.8030	0.000	1	125.8030	0.000	1	125.8030	0.000	1	125.8030	0.000	1	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:3:	3:3:3:	3:3:2:2:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5](B[5]B[5]O[5]2)(N[5]C[6a]C[5])2	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	B[5](B[5]O[5]2)(C[5]N[5]2)(O[5]C[5])2	C[5](B[5]B[5]O[5]2)(N[5]C[6a]C[5])2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	B[5](B[5]O[5]2)(C[5]N[5]2)(O[5]C[5])2{2|C<4>,4|C<3>,4|H<1>}	127.8110	3.261	2	127.8110	10.635	2	127.8110	10.635	2	127.8110	10.635	2	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:3:	3:3:3:	3:3:3:1:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:Br-1:	C[5](B[5]C[5,6a]2Br)(N[5]C[6a]C[5])2	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br)	C[5](B[5]C[5,6a]2Br)(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Br<1>,1|H<1>,2|C<4>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br){2|H<1>,8|C<3>}	127.8345	0.603	2	127.8345	0.364	2	127.8345	0.364	2	127.8170	5.335	4	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:3:	3:3:3:	3:3:3:1:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:H-1:	C[5](B[5]C[5,6a]2H)(N[5]C[6a]C[5])2	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H)	C[5](B[5]C[5,6a]2H)(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H){2|H<1>,8|C<3>}	127.7995	3.955	2	127.7995	15.641	2	127.7995	15.641	2	127.8170	5.335	4	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:3:	3:3:3:	4:3:2:1:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5](B[5]C[5]O[5]H)(N[5]C[6a]C[5])2	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C[5](B[5]C[5]O[5]H)(N[5]C[6a]C[5])2{1|C<4>,3|H<1>,6|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	127.4537	3.708	6	127.4537	13.750	6	127.4537	13.750	6	127.4537	13.750	6	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:3:	3:3:4:	3:2:2:1:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O[5]-2:F-1:	C[5](B[5]O[5]2F)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH)	B[5](C[5]N[5]2)(O[5]C[5])2(F)	C[5](B[5]O[5]2F)(N[5]C[5]C)2{2|C<4>,2|H<1>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|F<1>,1|H<1>,2|O<2>}	B[5](C[5]N[5]2)(O[5]C[5])2(F){2|C<3>,6|C<4>}	127.2990	2.455	2	127.2990	6.027	2	127.2990	6.027	2	127.2990	6.027	2	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:3:	3:3:4:	3:2:2:2:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O[5]-2:O-2:	C[5](B[5]O[5]2O)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	B[5](C[5]N[5]2)(O[5]C[5])2(OC)	C[5](B[5]O[5]2O)(N[5]C[5]C)2{2|C<4>,2|H<1>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,3|O<2>}	B[5](C[5]N[5]2)(O[5]C[5])2(OC){2|C<3>,2|C<4>,4|H<1>}	127.0323	5.040	4	127.0323	25.400	4	127.0323	25.400	4	127.0323	25.400	4	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:3:	3:3:4:	3:2:2:3:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:O[5]-2:C-3:	C[5](B[5]O[5]2C)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	B[5](C[5]N[5]2)(O[5]C[5])2(CC[6]Te)	C[5](B[5]O[5]2C)(N[5]C[5]C)2{4|C<4>}	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>,2|O<2>}	B[5](C[5]N[5]2)(O[5]C[5])2(CC[6]Te){2|C<3>,6|C<4>}	126.9815	5.001	2	126.9815	25.014	2	126.9815	25.014	2	126.9815	25.014	2	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:3:	3:3:4:	3:3:2:2:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[5]-3:O[5]-2:O[5]-2:	C[5](B[5]C[6]O[5]2)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2	C[5](B[5]C[6]O[5]2)(N[5]C[5]C)2{1|B<4>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	B[5](C[6]B[5,6]N[6])(C[5]N[5]2)(O[5]C[5])2{1|N<3>,2|O<2>,3|C<3>,3|C<4>,4|H<1>}	127.4158	4.546	4	127.4158	20.665	4	127.4158	20.665	4	127.4158	20.665	4	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:3:	3:3:4:	3:4:3:1:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	B[5]-3:C[5]-4:C[5]-3:H-1:	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])2	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	B[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[5]N[5]2)(H)	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])2{6|H<1>,7|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<3>,3|C<3>,3|C<4>,3|H<1>}	B[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[5]N[5]2)(H){2|C<4>,6|C<3>}	126.0195	2.261	2	126.0195	5.110	2	126.0195	5.110	2	126.0195	5.110	2	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:3:	3:3:4:	4:3:2:1:	B[5]-4:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5](B[5]C[5]O[5]H)(N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C[5](B[5]C[5]O[5]H)(N[5]C[5,6a]C)2{1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	126.1780	5.547	2	126.1780	30.764	2	126.1780	30.764	2	126.9427	15.520	6	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:3:	3:3:4:	4:3:2:1:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5](B[5]C[5]O[5]H)(N[5]C[5]C)2	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C[5](B[5]C[5]O[5]H)(N[5]C[5]C)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	127.3250	3.877	4	127.3250	15.028	4	127.3250	15.028	4	126.9427	15.520	6	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:3:	3:4:3:	3:3:2:2:	B[5]-4:N[5]-3:N[5]-3:	C[5]-3:C[6]-4:C[5]-3:	B[5]-3:C[5]-3:O[5]-2:O[5]-2:	C[5](B[5]B[5]O[5]2)(N[5]C[5]C[6])2	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H)	B[5](B[5]O[5]2)(C[5]N[5]2)(O[5]C[5])2	C[5](B[5]B[5]O[5]2)(N[5]C[5]C[6])2{2|O<2>,4|H<1>,6|C<4>}	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H){1|B<3>,2|O<2>,3|C<4>,5|H<1>}	B[5](B[5]O[5]2)(C[5]N[5]2)(O[5]C[5])2{2|C<3>,8|C<4>}	127.3280	0.928	2	127.3280	0.861	2	127.3280	0.861	2	127.3280	0.861	2	126.9169	10.704	39	129.9115	52.196	50
818	542	786	0:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:4:	3:3:4:	3:3:3:1:	B[5]-4:N[5]-3:C[5]-4:	C[5]-3:C[6a]-3:C[5]-4:	B[5]-3:C[5]-3:C[5]-3:H-1:	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]CC)	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]CC){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,3|C<3>,3|H<1>,4|C<4>}	B[5](B[5]C[5]O[5])(C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<3>,6|C<4>}	125.2330	0.000	1	125.2330	0.000	1	125.2330	0.000	1	125.2330	0.000	1	126.9169	10.704	39	129.9115	52.196	50
818	542	786	5:SP2_SP2_SP3	C[5,5]	N[5,5]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:N[5,5]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]C){8|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{1|H<1>,5|C<4>,8|C<3>}	112.1030	0.000	1	112.1030	0.000	1	111.6650	0.384	2	111.6650	0.384	2	110.2112	11.835	9	109.7815	12.366	10
818	542	786	5:SP2_SP2_SP3	C[5,5]	N[5,5]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:N[5,5]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[5,5](B[5]C[5,6a]C[6a]2)(N[5,5]C[5,6a]2)(N[5]C[5,6a]H){8|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){3|H<1>,6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	111.2270	0.000	1	111.2270	0.000	1	111.6650	0.384	2	111.6650	0.384	2	110.2112	11.835	9	109.7815	12.366	10
818	542	786	5:SP2_SP2_SP3	C[5,5]	N[5,5]	B[5]	4:3:3:	3:4:3:	3:3:4:1:	B[5]-4:N[5]-3:N[5,5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2)	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2){1|C<4>,4|C<3>,5|H<1>}	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	113.1570	0.000	1	113.7473	0.319	3	113.7473	0.319	3	113.7473	0.319	3	110.2112	11.835	9	109.7815	12.366	10
818	542	786	5:SP2_SP2_SP3	C[5,5]	N[5,5]	B[5]	4:3:3:	3:4:3:	3:3:4:1:	B[5]-4:N[5]-3:N[5,5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2)	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](B[5]C[6a]C[5]H)(N[5]C[6a]C[5])(N[5,5]C[5]2){1|C<4>,4|C<3>,5|H<1>}	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	114.0425	0.339	2	113.7473	0.319	3	113.7473	0.319	3	113.7473	0.319	3	110.2112	11.835	9	109.7815	12.366	10
818	542	786	5:SP2_SP2_SP3	C[5,5]	N[5,5]	B[5]	4:3:3:	3:4:3:	3:4:1:1:	B[5]-4:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:Br-1:Br-1:	C[5,5](B[5]C[5]Br2)(N[5,5]C[5]2)(N[5]C[5]C)	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]CC)(C[5]C[5]H)	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(Br)2	C[5,5](B[5]C[5]Br2)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]CC)(C[5]C[5]H){2|Br<1>,1|C<4>,3|H<1>}	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(Br)2{2|C<3>,3|C<4>}	106.2023	0.862	3	106.2023	0.742	3	106.2023	0.742	3	106.2023	0.742	3	110.2112	11.835	9	109.7815	12.366	10
818	542	786	5:SP2_SP2_SP3	C[5,5]	N[5,5]	B[5]	4:3:3:	3:4:3:	3:4:4:1:	B[5]-4:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:C-4:Cl-1:	C[5,5](B[5]C[5]ClC)(N[5,5]C[5]2)(N[5]C[5]C)	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]CC)(C[5]C[5]H)	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC3)(Cl)	C[5,5](B[5]C[5]ClC)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]CC)(C[5]C[5]H){1|Cl<1>,2|C<4>,3|H<1>}	B[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC3)(Cl){2|C<3>,3|C<4>}	108.7220	0.000	1	108.7220	0.000	1	108.7220	0.000	1	108.7220	0.000	1	110.2112	11.835	9	109.7815	12.366	10
818	542	786	5:SP2_SP2_SP3	C[5]	N[5]	B[5]	4:3:1:	3:3:4:	3:3:3:3:	B[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5](B[5]C[6a]2N[5])(N[5]C[5]C)(O)	N[5](C[5]B[5]O)(C[5]N[5]H)(CCCH)	B[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C)	C[5](B[5]C[6a]2N[5])(N[5]C[5]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]B[5]O)(C[5]N[5]H)(CCCH){1|C<4>,2|C<3>}	B[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|H<1>,4|C<3>,4|F<1>}	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	109.7815	12.366	10
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5,6]	Cl	3:3:1:	3:3:4:	3:	N[5,6]-3:N[5,6]-3:Cl-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5]-3:	C[5](N[5,6]C[5,6]C[6])2(Cl)	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH)	Cl(C[5]N[5,6]2)	C[5](N[5,6]C[5,6]C[6])2(Cl){2|C<3>,2|H<1>,4|C<4>}	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	Cl(C[5]N[5,6]2)	125.2105	0.207	2	125.2105	0.043	2	125.2105	0.043	2	125.2105	0.043	2	125.2105	0.043	2	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:2:1:	3:3:2:	3:	N[5]-3:N[5]-2:Cl-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:	C[5](N[5]C[6a]N[5])(N[5]N[5])(Cl)	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]N[5])	Cl(C[5]N[5]2)	C[5](N[5]C[6a]N[5])(N[5]N[5])(Cl){1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	Cl(C[5]N[5]2)	124.7590	0.000	1	124.7590	0.000	1	124.7590	0.000	1	124.7590	0.000	1	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:2:1:	3:3:4:	3:	N[5]-3:S[5]-2:Cl-1:	C[5,6]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,6]C)(S[5]C[5,6])(Cl)	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]Cl)(CH3)	Cl(C[5]N[5]S[5])	C[5](N[5]C[5,6]C)(S[5]C[5,6])(Cl){1|C<2>,1|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]Cl)(CH3){1|C<2>,1|C<3>,1|H<1>}	Cl(C[5]N[5]S[5])	124.0370	0.000	1	124.0370	0.000	1	124.0370	0.000	1	124.0370	0.000	1	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:2:1:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:O[5]-2:O-1:	C[5]-3:	C[5](C[5]N[5]O)(N[5]O[5]O)(Cl)	N[5](C[5]C[5]Cl)(O[5]N[5])(O)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]O)(N[5]O[5]O)(Cl)	N[5](C[5]C[5]Cl)(O[5]N[5])(O){1|O<2>}	Cl(C[5]C[5]N[5])	121.9675	0.149	2	121.9675	0.022	2	121.9675	0.022	2	121.9675	0.022	2	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:1:	3:	N[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:	C[5](N[5]C[5]H)2(Cl)	N[5](C[5]N[5]Cl)(C[5]C[5]H)(H)	Cl(C[5]N[5]2)	C[5](N[5]C[5]H)2(Cl){2|H<1>}	N[5](C[5]N[5]Cl)(C[5]C[5]H)(H){2|H<1>}	Cl(C[5]N[5]2)	125.4380	0.245	2	125.4380	0.060	2	125.4380	0.060	2	125.4380	0.060	2	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:2:	3:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(N[5]N[5])	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(Cl){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(N[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	Cl(C[5]C[5]N[5])	122.2860	0.000	1	122.2860	0.000	1	122.2860	0.000	1	122.2860	0.000	1	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:3:	3:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cu)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Cu<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cu){1|Cl<1>,2|C<4>,3|C<3>}	Cl(C[5]C[5]N[5])	122.8180	0.626	2	122.8180	0.392	2	122.7986	1.503	22	123.1167	1.975	26	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:3:	3:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Fe)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Fe<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Fe){1|Cl<1>,2|C<4>,3|C<3>}	Cl(C[5]C[5]N[5])	123.8183	0.714	6	123.8183	0.510	6	122.7986	1.503	22	123.1167	1.975	26	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:3:	3:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]H)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]H){1|Cl<1>,2|C<4>,3|C<3>}	Cl(C[5]C[5]N[5])	122.5085	0.627	2	122.5085	0.393	2	122.7986	1.503	22	123.1167	1.975	26	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:3:	3:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|P<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P){1|Cl<1>,2|C<4>,3|C<3>}	Cl(C[5]C[5]N[5])	123.3425	0.252	2	123.0662	0.225	6	122.7986	1.503	22	123.1167	1.975	26	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:3:	3:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|P<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P){1|Cl<1>,2|C<4>,3|C<3>}	Cl(C[5]C[5]N[5])	122.9280	0.526	4	123.0662	0.225	6	122.7986	1.503	22	123.1167	1.975	26	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:3:	3:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Se)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Se<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Se){1|Cl<1>,2|C<4>,3|C<3>}	Cl(C[5]C[5]N[5])	121.9430	0.000	1	121.9430	0.000	1	122.7986	1.503	22	123.1167	1.975	26	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:3:	3:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]U)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|U<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]U){1|Cl<1>,2|C<4>,3|C<3>}	Cl(C[5]C[5]N[5])	123.2735	0.216	2	123.2735	0.047	2	122.7986	1.503	22	123.1167	1.975	26	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:3:	3:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl){1|Cl<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cl){1|P<4>,2|C<4>,3|C<3>}	Cl(C[5]C[5]N[5])	119.8915	0.060	2	119.8915	0.004	2	122.7986	1.503	22	123.1167	1.975	26	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:3:	3:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Rh)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Rh){1|P<4>,2|C<4>,3|C<3>}	Cl(C[5]C[5]N[5])	121.3370	0.000	1	121.3370	0.000	1	122.7986	1.503	22	123.1167	1.975	26	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cl)	Cl(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(Cl){1|Cl<1>,1|P<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cl){1|P<4>,2|C<4>,3|C<3>}	Cl(C[5]N[5]2)	124.9765	1.429	2	124.9765	2.042	2	124.8657	1.112	4	123.1167	1.975	26	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:3:	3:	N[5]-3:N[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]C[5])2(Cl)	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P)	Cl(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(Cl){1|Cl<1>,1|P<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P){1|Cl<1>,2|C<4>,3|C<3>}	Cl(C[5]N[5]2)	124.7550	1.116	2	124.7550	1.245	2	124.8657	1.112	4	123.1167	1.975	26	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<3>,1|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,3|C<4>}	Cl(C[5]C[5]N[5])	123.2195	0.456	2	123.1792	0.307	8	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<4>,1|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|C<3>,3|C<4>}	Cl(C[5]C[5]N[5])	122.9495	0.674	4	123.1792	0.307	8	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<4>,1|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|H<1>,3|C<4>}	Cl(C[5]C[5]N[5])	123.5985	0.117	2	123.1792	0.307	8	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|C<4>,1|H<1>}	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	122.6360	0.458	2	122.6360	0.210	2	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<4>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.4220	0.000	1	123.1529	1.129	7	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<6>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	121.9940	0.000	1	123.1529	1.129	7	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	122.8375	0.269	2	123.1529	1.129	7	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<9>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.6597	1.469	3	123.1529	1.129	7	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<6>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	122.7760	0.000	1	123.4083	0.710	3	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.7245	0.906	2	123.4083	0.710	3	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<4>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.4360	0.000	1	122.2600	2.766	2	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<9>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	121.0840	0.000	1	122.2600	2.766	2	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CN[5]HH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CN[5]HH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	124.6185	1.624	4	124.6185	2.639	4	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.9257	0.602	4	123.9257	0.363	4	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CC[6a]HH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CC[6a]HH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.9643	0.512	3	123.9643	0.263	3	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CH3)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CH3){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.8633	0.952	3	123.8633	0.906	3	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pt)(CCHH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pt<5>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Pt)(CCHH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	125.1130	0.106	2	125.1130	0.011	2	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.6850	0.696	2	123.3766	0.723	5	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.1710	1.022	3	123.3766	0.723	5	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<4>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.5335	0.350	2	123.4725	0.103	6	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.4420	0.356	4	123.4725	0.103	6	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.1252	0.733	5	123.1485	0.433	6	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.2650	0.000	1	123.1485	0.433	6	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5]HH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5]HH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.1713	0.809	6	123.1713	0.654	6	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.2980	0.000	1	123.2247	0.711	3	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	123.1880	1.189	2	123.2247	0.711	3	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CCHH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<6>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CCHH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	124.2330	0.133	2	124.2330	0.018	2	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CC[6]HH)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<9>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CC[6]HH){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	124.4160	0.000	1	124.4160	0.000	1	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CH3)	Cl(C[5]C[5]N[5])	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<9>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CH3){1|Cl<1>,1|C<4>}	Cl(C[5]C[5]N[5])	121.8410	0.000	1	121.8410	0.000	1	123.4624	0.887	68	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	3:3:4:	3:	N[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(Cl)	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH)	Cl(C[5]N[5]2)	C[5](N[5]C[5]C)2(Cl){2|C<4>}	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH){2|C<4>}	Cl(C[5]N[5]2)	125.4630	1.188	2	125.4630	1.411	2	125.4630	1.411	2	123.5195	0.995	70	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:Cl-1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5,5]C)2(Cl)	N[5](C[5,5]C[5,5]C[5]Ru)(C[5]N[5]Cl)(CH3)	Cl(C[5]N[5]2)	C[5](N[5]C[5,5]C)2(Cl){1|Ru<10>,2|C<4>}	N[5](C[5,5]C[5,5]C[5]Ru)(C[5]N[5]Cl)(CH3){4|C<4>}	Cl(C[5]N[5]2)	123.3270	0.481	6	123.3270	0.231	6	123.3270	0.231	6	123.1916	0.321	7	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:3:1:	4:3:4:	3:	N[5]-3:N[5]-3:Cl-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:	C[5](N[5]C[5]C)2(Cl)	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3)	Cl(C[5]N[5]2)	C[5](N[5]C[5]C)2(Cl){4|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3){1|C<4>,2|H<1>}	Cl(C[5]N[5]2)	122.3790	0.000	1	122.3790	0.000	1	122.3790	0.000	1	123.1916	0.321	7	123.4244	1.269	112	123.4558	1.302	114
818	542	790	0:SP2_SP-NON_SP2	C[5]	N[5]	Cl	3:4:1:	3:3:3:	3:	N[5]-3:C[5]-4:Cl-1:	B[5]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(Cl)	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Cl)	Cl(C[5]C[5]N[5])	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(Cl){4|C<3>}	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Cl){2|C<4>,2|H<1>,5|C<3>}	Cl(C[5]C[5]N[5])	123.9515	0.971	2	123.9515	0.943	2	123.9515	0.943	2	123.9515	0.943	2	123.4244	1.269	112	123.4558	1.302	114
818	542	813	0:SP2_SP2_SP2	C[5]	N[5]	N[5a]	3:3:2:	3:3:3:	3:2:3:	N[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](N[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]N[5a]N[5])(C[5]N[5]S)(NHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2)	C[5](N[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|H<1>,1|S<1>,3|C<3>}	N[5](C[5]N[5a]N[5])(C[5]N[5]S)(NHH){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	123.2580	0.000	1	123.2580	0.000	1	123.2580	0.000	1	123.2580	0.000	1	123.2940	2.868	5	123.2940	2.868	5
818	542	813	0:SP2_SP2_SP2	C[5]	N[5]	N[5a]	3:3:3:	3:4:1:	3:3:3:	N[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](N[5a]C[5a]2)(N[5]C[5]O)2	N[5](C[5]N[5a]N[5])(C[5]C[5]CC)(O)	N[5a](C[5a]C[5a]H)2(C[5]N[5]2)	C[5](N[5a]C[5a]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]N[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	124.9355	0.715	2	124.9355	0.511	2	124.9355	0.511	2	124.9355	0.511	2	123.2940	2.868	5	123.2940	2.868	5
818	542	813	0:SP2_SP2_SP2	C[5]	N[5]	N[5a]	3:3:3:	4:3:1:	3:3:2:	N[5a]-3:C[5]-3:N[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[6a]N[5])(N[5]C[5,6]O)	N[5](C[5,6]C[6]2N[5])(C[5]N[5a]C[5])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[6a]N[5])(N[5]C[5,6]O){1|N<2>,2|C<4>,4|C<3>}	N[5](C[5,6]C[6]2N[5])(C[5]N[5a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	121.2840	0.000	1	121.2840	0.000	1	121.2840	0.000	1	121.2840	0.000	1	123.2940	2.868	5	123.2940	2.868	5
818	542	813	0:SP2_SP2_SP2	C[5]	N[5]	N[5a]	3:4:3:	3:3:1:	3:3:3:	N[5a]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	122.0570	0.000	1	122.0570	0.000	1	122.0570	0.000	1	122.0570	0.000	1	123.2940	2.868	5	123.2940	2.868	5
818	542	813	5:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5,6a]	3:3:2:	3:4:2:	3:3:3:	N[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](N[5,6a]C[5,6a]C[6a])(N[5,6]C[6]N[5])(N[6]C[6])	N[5,6](C[5,6]N[5,6a]N[6])(C[6]C[6a]C[6]H)(N[5]C[5,6a])	N[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]C)	C[5,6](N[5,6a]C[5,6a]C[6a])(N[5,6]C[6]N[5])(N[6]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]N[5,6a]N[6])(C[6]C[6a]C[6]H)(N[5]C[5,6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	103.6690	0.431	2	103.6690	0.186	2	103.6690	0.186	2	103.6690	0.186	2	103.6690	0.186	2	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5a]	3:3:1:	3:3:3:	3:3:3:	N[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(C[6a]C[6a]2)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O){6|C<3>}	N[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){2|H<1>,4|C<3>}	104.4780	0.000	1	104.4780	0.000	1	104.4780	0.000	1	104.4780	0.000	1	104.5581	0.981	9	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5a]	3:3:1:	4:3:1:	3:3:3:	N[5,5a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O)	N[5](C[5]C[5,5a]CC)(C[5]N[5,5a]O)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O){1|C<4>,4|C<3>}	N[5](C[5]C[5,5a]CC)(C[5]N[5,5a]O)(H){2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	105.1070	0.000	1	105.1070	0.000	1	105.1445	0.003	2	105.1445	0.003	2	104.5581	0.981	9	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5a]	3:3:1:	4:3:1:	3:3:3:	N[5,5a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O)	N[5](C[5]C[5,5a]C[6a]C)(C[5]N[5,5a]O)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]H)(O){5|C<3>}	N[5](C[5]C[5,5a]C[6a]C)(C[5]N[5,5a]O)(H){4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){3|H<1>,4|C<3>}	105.1820	0.000	1	105.1820	0.000	1	105.1445	0.003	2	105.1445	0.003	2	104.5581	0.981	9	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5a]	3:3:1:	4:3:3:	3:3:3:	N[5,5a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,5a]HN)(C[5]N[5,5a]O)(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	C[5](N[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5a]HN)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|N<3>,3|H<1>}	105.7330	0.000	1	105.7330	0.000	1	105.7330	0.000	1	105.8390	0.022	2	104.5581	0.981	9	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5a]	3:3:1:	4:3:3:	3:3:3:	N[5,5a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(C[6a]C[6a]2)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[6a]C[5])(O){1|H<1>,6|C<3>}	N[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	105.9450	0.000	1	105.9450	0.000	1	105.9450	0.000	1	105.8390	0.022	2	104.5581	0.981	9	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5a]	3:3:2:	3:2:1:	3:2:3:	N[5,5a]-3:N[5]-3:N-2:	C[5]-3:N[5]-2:H-1:	C[5,5a]-3:N[5a]-2:C[5]-3:	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NH)	N[5](C[5]N[5,5a]N)(N[5]C[5,5a])(H)	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N)	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NH){1|C<3>,1|N<3>}	N[5](C[5]N[5,5a]N)(N[5]C[5,5a])(H){1|N<2>,1|N<3>}	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N){1|H<1>,2|N<3>}	103.9590	0.000	1	103.9590	0.000	1	103.9590	0.000	1	103.9590	0.000	1	104.5581	0.981	9	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5a]	3:3:3:	3:2:1:	3:2:3:	N[5,5a]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:H-1:	C[5,5a]-3:N[5a]-2:C[5]-3:	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NHH)	N[5](C[5]N[5,5a]N)(N[5]C[5,5a])(H)	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N)	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NHH){1|C<3>,1|N<3>}	N[5](C[5]N[5,5a]N)(N[5]C[5,5a])(H){1|N<2>,1|N<3>}	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N){1|H<1>,2|N<3>}	104.0390	0.000	1	104.0390	0.000	1	104.0390	0.000	1	104.0390	0.000	1	104.5581	0.981	9	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5a]	3:3:3:	3:2:1:	3:3:2:	N[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-2:D-1:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]D)	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(D)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]D){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(D){1|N<2>,1|N<3>,2|C<3>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>,2|D<1>}	103.2510	0.000	1	103.2510	0.000	1	103.2510	0.000	1	103.2900	0.003	2	104.5581	0.981	9	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,5a]	3:3:3:	3:2:1:	3:3:2:	N[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]H)	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]N[5,5a]C[6a])(N[5]C[5,5a])(H){1|N<2>,1|N<3>,2|C<3>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	103.3290	0.000	1	103.3290	0.000	1	103.3290	0.000	1	103.2900	0.003	2	104.5581	0.981	9	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,6a]	3:3:1:	3:2:4:	3:3:3:	N[5,6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	N[5](C[5]N[5,6a]H)(N[5]C[5,6a])(CCHH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	N[5](C[5]N[5,6a]H)(N[5]C[5,6a])(CCHH){2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	105.3190	12.341	2	105.9943	2.058	30	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,6a]	3:3:1:	3:2:4:	3:3:3:	N[5,6a]-3:N[5]-3:S-1:	C[5]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(S)	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(S){1|H<1>,2|C<3>}	N[5](C[5]N[5,6a]S)(N[5]C[5,6a])(CCHH){2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,2|H<1>}	102.8350	0.000	1	102.8350	0.000	1	102.8350	0.000	1	105.3190	12.341	2	105.9943	2.058	30	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,6a]	3:3:1:	3:3:4:	3:3:3:	N[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]H)(CH3)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]H)(CH3){2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	107.3512	0.515	5	107.3512	0.265	5	107.3512	0.265	5	105.9823	2.389	10	105.9943	2.058	30	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,6a]	3:3:1:	3:3:4:	3:3:3:	N[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)(C[5]N[5,6a]O)(CH3)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]O)(C[5]N[5,6a]O)(CH3){2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	105.6400	0.000	1	105.6400	0.000	1	105.6400	0.000	1	105.9823	2.389	10	105.9943	2.058	30	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,6a]	3:3:1:	3:3:4:	3:3:3:	N[5,6a]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(S)	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(S){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH){2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,3|H<1>}	104.1870	0.133	3	104.1870	0.018	3	104.1870	0.018	3	105.9823	2.389	10	105.9943	2.058	30	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,6a]	3:3:1:	3:3:4:	3:3:3:	N[5,6a]-3:N[5]-3:Se-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(Se)	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Se)(CH3)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(Se){1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Se)(CH3){4|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se){1|C<4>,2|C<3>,2|H<1>}	104.8660	0.000	1	104.8660	0.000	1	104.8660	0.000	1	105.9823	2.389	10	105.9943	2.058	30	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,6a]	3:3:2:	3:2:1:	3:2:3:	N[5,6a]-3:N[5]-3:N-2:	C[5]-3:N[5]-2:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN)	N[5](C[5]N[5,6a]N)(N[5]C[5,6a])(H)	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N)	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN){1|C<3>,1|N<2>}	N[5](C[5]N[5,6a]N)(N[5]C[5,6a])(H){2|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N){1|H<1>,2|N<2>}	103.0370	0.000	1	102.9435	0.017	2	102.9435	0.017	2	102.9435	0.017	2	105.9943	2.058	30	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,6a]	3:3:2:	3:2:1:	3:2:3:	N[5,6a]-3:N[5]-3:N-2:	C[5]-3:N[5]-2:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN)	N[5](C[5]N[5,6a]N)(N[5]C[5,6a])(H)	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N)	C[5](N[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(NN){1|C<3>,1|N<2>}	N[5](C[5]N[5,6a]N)(N[5]C[5,6a])(H){2|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a])(C[5]N[5]N){1|N<2>,2|H<1>}	102.8500	0.000	1	102.9435	0.017	2	102.9435	0.017	2	102.9435	0.017	2	105.9943	2.058	30	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C)	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C){1|Co<4>,3|H<1>,4|C<3>}	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3){1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.4180	0.000	1	107.2735	0.042	2	107.2735	0.042	2	106.4676	0.180	16	105.9943	2.058	30	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C)	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C){1|Zn<4>,3|H<1>,4|C<3>}	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3){1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.1290	0.000	1	107.2735	0.042	2	107.2735	0.042	2	106.4676	0.180	16	105.9943	2.058	30	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP2	C[5]	N[5]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]C)	N[5](C[5]N[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]C){3|H<1>,4|C<3>}	N[5](C[5]N[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){1|N<2>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	106.3525	0.301	14	106.3525	0.091	14	106.3525	0.091	14	106.4676	0.180	16	105.9943	2.058	30	105.5656	2.239	41
818	542	813	5:SP2_SP2_SP3	C[5]	N[5]	N[5,5a]	3:3:1:	4:3:2:	3:3:3:	N[5,5a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:O-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5,6]O)(O)	N[5](C[5,6]C[5,5a]C[6]2)(C[5]N[5,5a]O)(OC)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(N[5]C[5,6]O)(O){5|C<3>}	N[5](C[5,6]C[5,5a]C[6]2)(C[5]N[5,5a]O)(OC){2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O){1|O<2>,2|H<1>,4|C<3>}	104.0910	0.000	1	104.0910	0.000	1	104.0910	0.000	1	104.0910	0.000	1	104.0910	0.000	1	104.0910	0.000	1
818	542	813	6:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5a,6]	3:3:2:	3:3:4:	3:3:3:	N[5a,6]-3:N[5,6]-3:O[5]-2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5a,6,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]O[5])(B[6]C[6,6a]Cl2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){2|Cl<1>,1|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]O[5])(B[6]C[6,6a]Cl2){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H){1|B<4>,1|H<1>,4|C<3>}	124.0290	0.000	1	124.0290	0.000	1	124.0290	0.000	1	124.0290	0.000	1	120.2860	28.020	2	120.2860	28.020	2
818	542	813	6:SP2_SP2_SP2	C[5,6]	N[5,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:N[5,6]-3:N[5]-3:	C[5a,6]-3:C[5,6]-3:C[5]-3:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5a,6]C[5])(N[5]C[5]Cu)	N[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5a,6]N[5])(C[5]C[5]H)	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5,6]N[5])(C[5a]C[5a]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5a,6]C[5])(N[5]C[5]Cu){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	N[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5a,6]N[5])(C[5]C[5]H){1|Cu<5>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5,6]N[5])(C[5a]C[5a]H){1|Cu<5>,1|H<1>,4|C<3>}	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	120.2860	28.020	2	120.2860	28.020	2
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6,6a]-3:C[5,5]-3:C[6]-3:	C[5,5](C[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5]C[5,5]N[5])(C[6]C[6]H)	C[5,5](C[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]N[5]Pd){2|C<4>,6|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5]C[5,5]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	143.2080	0.000	1	143.2080	0.000	1	143.2080	0.000	1	143.2080	0.000	1	133.0932	26.344	6	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	N[5,5]-3:C[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H)	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	130.4240	0.033	2	130.4240	0.001	2	130.4375	0.313	4	130.4375	0.313	4	133.0932	26.344	6	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	N[5,5]-3:C[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H)	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	130.4510	0.969	2	130.4510	0.938	2	130.4375	0.313	4	130.4375	0.313	4	133.0932	26.344	6	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6]	4:3:3:	3:3:4:	4:3:4:	C[5,5]-4:C[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:S-4:	C[5,6,6]-4:C[5,5]-3:C[6]-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5,6])(SC[6a]OO)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5,6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH){2|C<4>,2|S<4>,3|C<3>,5|H<1>}	133.6010	0.000	1	133.6010	0.000	1	133.6010	0.000	1	133.6010	0.000	1	133.0932	26.344	6	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,5]-3:N[5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:P[5]-3:C-4:	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]C[5])(C[5]P[5]C)	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,5]N[5])(P[5]N[5]O)(CC3)	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]C[5])(C[5]P[5]C){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,1|P<3>,2|C<3>,5|C<4>}	C[5](C[5,5]C[5,5]N[5])(P[5]N[5]O)(CC3){1|C<4>,3|C<3>}	139.2970	0.000	1	139.2970	0.000	1	139.2970	0.000	1	139.2970	0.000	1	139.2147	3.943	10	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5]	3:3:3:	3:3:4:	3:4:4:	N[5,5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,5]-3:C[5,5]-4:C-4:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH)	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]N[5]2)(CH3)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]N[5]2)(CH3){2|H<1>,3|C<4>,4|C<3>}	139.8610	0.000	1	139.8610	0.000	1	139.8610	0.000	1	139.8610	0.000	1	139.2147	3.943	10	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(N[5]C[5]H)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(N[5]C[5]H){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|C<3>,3|H<1>}	137.3630	0.000	1	137.3630	0.000	1	137.3630	0.000	1	136.9555	0.332	2	139.2147	3.943	10	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	N[5,5]-3:C[5]-3:N[5]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-3:C-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]C)(N[5]C[5]H)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]C[6])(CC[6a]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]C)(N[5]C[5]H){1|O<2>,2|C<3>,4|H<1>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]C[6])(CC[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	136.5480	0.000	1	136.5480	0.000	1	136.5480	0.000	1	136.9555	0.332	2	139.2147	3.943	10	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5]	3:3:3:	3:4:4:	3:4:3:	N[5,5]-3:C[5]-3:N[5]-3:	C[5,5]-3:C[5]-4:C-4:	C[5,5]-3:C[5]-4:N-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]N)(N[5]C[5]C)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HO)(NOO)	C[5,5](N[5,5]C[5]2)(C[5]C[5]N)(N[5]C[5]C){1|C<4>,2|O<2>,5|H<1>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HO)(NOO){1|O<2>,4|C<4>}	140.4195	0.235	2	140.4195	0.055	2	140.4195	0.055	2	140.4195	0.055	2	139.2147	3.943	10	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[6a]-3:N[5]-2:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,5|C<3>}	139.8360	0.000	1	139.8360	0.000	1	140.5780	1.101	2	140.5780	1.101	2	139.2147	3.943	10	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[6a]-3:N[5]-2:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]N[6a])(N[5]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,2|N<2>,4|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]N[6a])(N[5]N[5]){1|C<4>,1|H<1>,5|C<3>}	141.3200	0.000	1	141.3200	0.000	1	140.5780	1.101	2	140.5780	1.101	2	139.2147	3.943	10	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	135.7270	0.000	1	135.7270	0.000	1	135.7270	0.000	1	135.7270	0.000	1	139.2147	3.943	10	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5,5,6]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C-3:	C[5,6]-4:C[5,5]-3:H-1:	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO)	C[5](C[5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]N[5])(H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]O[5,6]H)(C[5,5]C[5,5,6]N[5])(H){1|H<1>,2|C<4>,4|C<3>}	141.3560	0.000	1	141.3560	0.000	1	141.3560	0.000	1	141.3560	0.000	1	139.2147	3.943	10	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:4:3:	4:3:4:	3:3:1:	N[5,6]-3:C[5,6]-4:C[5]-3:	C[5,3x6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[5,3x6]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]O)(H)	C[5,6](N[5,6]C[5,3x6]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|O<1>,3|C<4>,7|H<1>}	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6]C[5,6]C[5])(C[5]C[5]HH){2|C<3>,4|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]O)(H){3|C<4>,3|H<1>}	130.5430	0.000	1	130.5430	0.000	1	130.5430	0.000	1	130.5430	0.000	1	130.5430	0.000	1	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	N[5,6]-3:C[5,6]-3:N[5]-3:	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	131.3880	0.000	2	131.3880	0.000	2	131.3880	0.000	2	131.3880	0.000	2	131.3880	0.000	2	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:2:3:	3:3:1:	3:3:3:	N[5]-3:S[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(H)	C[5](C[5]N[5]S[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(H){1|H<1>,4|C<3>}	C[5](C[5]N[5]S[5])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,3|C<3>}	123.6820	0.000	1	123.6820	0.000	1	123.6820	0.000	1	123.6820	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:C[5]-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:C[5]-2:	C[5](C[5]C[5]N[5])(N[5]N[5]C)(C[5]N[5])	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(C[5]N[5])	C[5](C[5]C[5]N[5])(N[5]N[5]C)(C[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<2>,1|C<3>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]C)(C[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	120.9645	0.521	2	120.9645	0.272	2	120.9645	0.272	2	120.9645	0.272	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]N[5])(C[5]N[5]N)(H)	C[5](C[5]N[5]2)(C[5]N[5]N)(N[5]N[5])	C[5](C[5]C[5]N[5])(N[5]C[5]H)(N[5]N[5]){1|H<1>,1|N<3>,3|N<2>}	N[5](C[5]C[5]N[5])(C[5]N[5]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]N[5]2)(C[5]N[5]N)(N[5]N[5]){1|C<3>,1|H<1>,1|N<3>}	125.7390	0.000	1	125.7390	0.000	1	125.7390	0.000	1	125.7390	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]2)(N[5]C[5])	N[5](C[5]C[5]N[5])(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5]H)(C[5]N[5]2)(H)	C[5](C[5]C[5]H)(N[5]C[5]2)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(C[5]N[5]2)(H){3|C<3>}	127.3570	0.000	1	127.3570	0.000	1	127.3570	0.000	1	127.3570	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:N[5]-2:	C[5](C[5]N[5]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[5]N[5])(C[5]N[5]N)(NHH)	C[5](C[5]N[5]2)(N[5]C[5]N)(N[5]N[5])	C[5](C[5]N[5]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|H<1>,3|N<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]N)(NHH){1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|H<1>,3|N<3>}	123.9390	0.593	4	123.9390	0.351	4	123.9390	0.351	4	124.8112	4.067	5	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]S[5])(S[5]C[5])	N[5](C[5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]N[5]S[5])(C[5]C[5]O)(S[5]C[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]S[5])(S[5]C[5]){1|C<4>,1|O<1>,5|C<3>}	N[5](C[5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,2|H<1>,4|C<3>}	C[5](C[5]N[5]S[5])(C[5]C[5]O)(S[5]C[5]){1|N<2>,4|C<3>}	128.3000	0.000	1	128.3000	0.000	1	128.3000	0.000	1	124.8112	4.067	5	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:S[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S[5]-2:	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a])	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a]){1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a]){1|C<4>,4|C<3>}	129.9760	0.000	1	129.9760	0.000	1	129.9760	0.000	1	129.9760	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:4:1:	3:3:2:	C[5]-3:N[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(N[5]C[5]H)(O[5]C[5])	N[5](C[5]C[5]O[5])(C[5]C[5]CC)(H)	C[5](C[5]N[5]O[5])(C[5]C[5]H)(S[5]C[5])	C[5](C[5]C[5]S[5])(N[5]C[5]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5]O[5])(C[5]C[5]CC)(H){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]N[5]O[5])(C[5]C[5]H)(S[5]C[5]){1|O<1>,2|C<4>,2|H<1>}	128.4330	0.000	1	128.4330	0.000	1	128.4330	0.000	1	128.4330	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:4:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](C[5]N[5]2)(N[5]C[5]H)2	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]C[5]){2|C<4>,6|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){2|H<1>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]H)2{2|C<4>,5|H<1>}	120.7550	0.000	1	120.7550	0.000	1	120.7550	0.000	1	124.4570	27.410	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:4:1:	3:3:3:	C[5]-3:N[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]C[5]H)(O[5]C[5])	N[5](C[5]C[5]O[5])(C[5]C[5]CC)(H)	C[5](C[5]N[5]O[5])(C[5]C[5]H)(C[5]S[5]O)	C[5](C[5]C[5]2)(N[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5]O[5])(C[5]C[5]CC)(H){2|C<3>,2|H<1>}	C[5](C[5]N[5]O[5])(C[5]C[5]H)(C[5]S[5]O){2|C<4>,2|H<1>}	128.1590	0.000	1	128.1590	0.000	1	128.1590	0.000	1	124.4570	27.410	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:4:1:	4:3:3:	C[5]-3:N[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6]C[5])(N[5]C[5]H)(O[5]C[5])	N[5](C[5]C[5]O[5])(C[5]C[5]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O[5])(C[5]S[5]O)	C[5](C[5]C[5,6]C[5])(N[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,1|S<2>,3|C<4>,3|H<1>}	N[5](C[5]C[5]O[5])(C[5]C[5]CC)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O[5])(C[5]S[5]O){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	128.6860	0.000	1	128.6860	0.000	1	128.6860	0.000	1	128.6860	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:O-2:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(C[5]N[5]2)	C[5](C[5]C[5]N[5])(N[5]C[5]O)(N[5]C[5]){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi){1|C<3>,1|N<3>,2|C<4>}	C[5](N[5]N[5]Ni)(C[5]C[5]H)(C[5]N[5]2){1|Ni<6>,1|H<1>,1|O<2>,2|C<4>}	123.5617	1.969	3	123.5617	3.875	3	123.5617	3.875	3	123.5617	3.875	3	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:4:3:	3:3:3:	N[5]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C-3:C[5]-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(C[5]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5]C[5,6a]){1|H<1>,1|N<3>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(C[5]C[5]N[5]){1|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,3|C<3>}	122.8760	0.000	1	122.8760	0.000	1	122.8760	0.000	1	122.8760	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:2:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:N[5]-2:	C[5](C[5]C[5a]N[5])(C[5]N[5]2)(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(N[5]N[5])2	C[5](C[5]C[5a]N[5])(C[5]N[5]2)(N[5]O[5]O){4|N<2>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<2>}	C[5](C[5]C[5]N[5])(N[5]N[5])2{1|C<3>,1|N<2>,1|O<1>,1|O<2>}	119.2250	0.000	1	119.2250	0.000	1	121.0890	6.949	2	121.0890	6.949	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:2:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:N[5]-2:	C[5](C[5]N[5]2)(C[5]N[5]C)(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(N[5]N[5])2	C[5](C[5]N[5]2)(C[5]N[5]C)(N[5]O[5]O){2|N<2>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<2>}	C[5](C[5]C[5]N[5])(N[5]N[5])2{1|C<3>,1|N<2>,1|O<1>,1|O<2>}	122.9530	0.000	1	122.9530	0.000	1	121.0890	6.949	2	121.0890	6.949	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])2(N[5]O[5])	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|N<3>,1|O<2>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])2(N[5]O[5]){1|C<3>,1|N<2>,1|O<2>,2|N<3>,2|O<1>}	122.8910	0.000	1	122.8910	0.000	1	121.5960	1.300	3	121.5960	1.300	3	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5])	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|N<2>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5]){1|C<3>,1|N<3>,1|O<2>,2|N<2>,2|O<1>}	120.9485	0.289	2	120.9485	0.084	2	121.5960	1.300	3	121.5960	1.300	3	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	119.6875	0.457	2	119.6875	0.209	2	119.8805	0.359	4	119.8805	0.359	4	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<3>}	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	119.4740	0.000	1	119.4740	0.000	1	119.8805	0.359	4	119.8805	0.359	4	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|N<3>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	120.6730	0.000	1	120.6730	0.000	1	119.8805	0.359	4	119.8805	0.359	4	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	121.2610	0.000	1	121.2610	0.000	1	131.4486	69.473	14	131.4486	69.473	14	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|C<4>}	121.2230	0.000	1	121.2230	0.000	1	131.4486	69.473	14	131.4486	69.473	14	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ir<8>,1|N<3>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	137.0380	1.066	2	138.2683	1.137	6	131.4486	69.473	14	131.4486	69.473	14	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C){1|N<2>,1|N<3>,2|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]Ir)(N[5]N[5]C){1|N<2>,1|N<3>,2|C<4>}	138.8835	0.048	4	138.2683	1.137	6	131.4486	69.473	14	131.4486	69.473	14	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C){1|Mn<5>,1|N<2>,1|N<3>,2|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Mn<5>,1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C){1|Mn<5>,1|N<2>,1|N<3>,2|C<4>}	124.4390	0.164	2	124.4390	0.027	2	131.4486	69.473	14	131.4486	69.473	14	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]Rh)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]Rh)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]Rh)(N[5]N[5]C){1|Rh<6>,1|N<2>,1|N<3>,2|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]Rh)(N[5]N[5]C){1|Rh<6>,1|N<2>,1|N<3>,2|C<4>}	121.1740	0.604	2	121.1740	0.365	2	131.4486	69.473	14	131.4486	69.473	14	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]Ru)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]Ru)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]Ru)(N[5]N[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Ru<9>,1|N<3>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]Ru)(N[5]N[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	138.4800	1.179	2	138.4800	1.391	2	131.4486	69.473	14	131.4486	69.473	14	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(C[5]C[5]H)(N[5]N[5]H)	N[5](N[5]C[5]Mg)(C[5]C[5]2)(H)	C[5](C[5]C[5]N[5])(C[5]C[5]H)(S[5]C[5])	C[5](C[5]C[5]S[5])(C[5]C[5]H)(N[5]N[5]H){1|Mg<6>,1|C<2>,1|C<3>,2|H<1>}	N[5](N[5]C[5]Mg)(C[5]C[5]2)(H){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]H)(S[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	126.1396	9.017	8	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(N[5]C[5]H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]2)(C[5]S[5]H)(S[5]C[5])	C[5](C[5]C[5]S[5])(N[5]C[5]H)2{1|C<3>,1|S<2>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]N[5]2)(C[5]S[5]H)(S[5]C[5]){2|H<1>,3|C<3>}	126.0285	0.475	6	126.0285	0.225	6	126.0285	0.225	6	126.1396	9.017	8	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-2:	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5])	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]H){1|C<2>,1|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]){2|C<3>,2|H<1>}	132.0270	0.000	1	132.0270	0.000	1	132.0270	0.000	1	126.1396	9.017	8	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,4|C<3>}	120.7470	0.000	1	120.7470	0.000	1	123.7640	9.018	4	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	126.2375	1.411	2	126.2375	1.990	2	123.7640	9.018	4	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	121.8340	0.000	1	121.8340	0.000	1	123.7640	9.018	4	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]S[5]C)(N[5]C[5]H)	N[5](C[5]C[5]2)(C[5]S[5]N)(H)	C[5](C[5]C[5]N[5])(C[5]S[5]C)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]S[5]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	N[5](C[5]C[5]2)(C[5]S[5]N)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]S[5]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	119.1290	0.676	2	119.1290	0.457	2	118.9485	0.237	4	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]C[5]2)(C[5]S[5]N)(H)	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	N[5](C[5]C[5]2)(C[5]S[5]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	118.7680	0.351	2	118.7680	0.123	2	118.9485	0.237	4	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[5]2)(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5]2)(N[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	119.8490	0.000	1	119.8490	0.000	1	119.8490	0.000	1	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]Os)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(C[5]N[5]2)	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]Os)(N[5]C[5,6a]H){1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Os<9>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(C[5]N[5]2){1|N<2>,3|C<3>,3|H<1>}	131.3930	0.000	1	131.3930	0.000	1	130.5260	1.503	2	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]Ru)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(C[5]N[5]2)	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]Ru)(N[5]C[5,6a]H){1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(C[5]N[5]2){1|N<2>,3|C<3>,3|H<1>}	129.6590	0.000	1	129.6590	0.000	1	130.5260	1.503	2	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]2)(N[5]C[5]H)2	C[5](C[5]N[5]2)(N[5]C[5]H)2{2|C<3>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){2|H<1>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]H)2{2|C<3>,4|H<1>}	125.5152	0.417	4	125.5152	0.174	4	125.5152	0.174	4	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cd)(C[5]N[5]2)(N[5]C[5]H)	C[5](C[5]N[5]2)(N[5]C[5]H)2{1|Cd<6>,2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){2|H<1>,2|N<3>}	C[5](N[5]C[5]Cd)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,4|H<1>}	126.3630	1.065	2	126.3630	1.134	2	126.3630	1.134	2	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Os)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Os)(C[5]N[5]2)	C[5](N[5]C[5,6a]Os)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]Os)(C[5]N[5]2){1|Os<6>,2|C<3>,2|H<1>,2|N<3>}	131.8890	0.000	1	131.8890	0.000	1	131.6540	0.110	2	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Ru)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Ru)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ru)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]Ru)(C[5]N[5]2){1|Ru<6>,2|C<3>,2|H<1>,2|N<3>}	131.4190	0.000	1	131.4190	0.000	1	131.6540	0.110	2	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Co)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]S[5]H)	C[5](N[5]C[5,6a]Co)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]S[5]H){2|C<3>,2|H<1>}	128.1710	0.604	2	128.1710	0.365	2	126.9987	1.234	6	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Fe)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Fe)(C[5]N[5]2)(C[5]S[5]H)	C[5](N[5]C[5,6a]Fe)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]2)(C[5]S[5]H){2|C<3>,2|H<1>}	125.9610	0.911	2	125.9610	0.829	2	126.9987	1.234	6	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]S[5]H)	C[5](N[5]C[5,6a]Ni)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]S[5]H){2|C<3>,2|H<1>}	126.8640	0.197	2	126.8640	0.039	2	126.9987	1.234	6	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:N[5]-3:	C[5](N[5]C[5]Cd)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]2)(N[5]C[5]H)2	C[5](N[5]C[5]Cd)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Cd<6>,1|H<1>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]H)2{1|Cd<6>,2|C<3>,3|H<1>}	123.5710	0.000	1	123.5710	0.000	1	123.5710	0.000	1	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Cd)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cd)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Cd)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Cd<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Cd)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	127.7619	0.485	20	127.7619	0.235	20	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Co<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	132.5081	2.669	37	132.5081	7.124	37	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	131.7855	0.521	6	131.5864	0.377	8	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Cu<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	130.9890	0.577	2	131.5864	0.377	8	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	129.7933	0.306	4	129.7933	0.094	4	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	132.7820	0.396	2	132.7820	0.157	2	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Mn)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Mn)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Mn<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	128.7290	0.756	6	128.7290	0.572	6	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Mo)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Mo)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Mo)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Mo<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Mo)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	131.7105	0.733	2	131.7105	0.538	2	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Ni)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Ni<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Ni)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	130.3189	0.919	22	130.3189	0.845	22	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Os)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Os)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Os)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Os<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Os)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	134.4955	0.218	2	134.4955	0.048	2	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Pt<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,3|H<1>}	135.9500	0.000	1	135.9500	0.000	1	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Re)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Re)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Re)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Re<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Re)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	133.2450	0.943	2	133.2450	0.890	2	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Rh<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	132.7865	0.526	31	132.7695	0.261	43	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Rh<5>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	132.7256	0.486	12	132.7695	0.261	43	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Ru)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Ru)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Ru<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Ru)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	132.8453	0.209	6	132.8453	0.044	6	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(H){1|Zn<6>,1|C<4>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	128.4200	0.110	2	128.4200	0.012	2	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){1|Zn<6>,2|H<1>,3|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Zn<6>,1|C<3>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){1|Zn<6>,2|H<1>,3|C<3>}	121.8158	0.262	4	127.3980	13.732	14	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Zn<5>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	129.6980	0.120	4	127.3980	13.732	14	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Zn<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	129.5862	0.864	6	127.3980	13.732	14	131.0893	7.261	171	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:N[5]-3:	C[5](N[5]C[5,6a]Eu)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](C[5]N[5]2)(N[5]C[5]O)2	C[5](N[5]C[5,6a]Eu)(N[5]C[5,6a]H)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Eu<13>,1|H<1>,2|C<3>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|Eu<13>,1|H<1>,2|C<3>,4|C<4>}	121.0505	1.646	4	121.0505	2.709	4	121.0505	2.709	4	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Cd<5>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Cd)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	127.0200	0.069	2	127.0200	0.005	2	128.8765	2.630	22	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Co<6>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	127.9582	1.276	10	127.9582	1.629	10	128.8765	2.630	22	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ir<6>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	129.3625	0.841	2	130.3917	1.351	6	128.8765	2.630	22	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ir<8>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	130.9062	0.978	4	130.3917	1.351	6	128.8765	2.630	22	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	130.3445	0.077	2	130.3445	0.006	2	128.8765	2.630	22	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ni<6>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	129.3105	0.155	2	129.3105	0.024	2	128.8765	2.630	22	130.0053	12.800	223	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	4:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-4:C[5]-3:N[5]-3:	C[5](N[5]C[5,6a]Gd)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]GdO)(C[5]N[5]2)(N[5]C[5]O)	C[5](N[5]C[5,6a]Gd)(N[5]C[5,6a]H)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Gd<15>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[5](N[5]C[5]GdO)(C[5]N[5]2)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	121.2570	0.000	1	121.2570	0.000	1	121.2675	0.000	2	121.2675	0.000	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	4:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-4:C[5]-3:N[5]-3:	C[5](N[5]C[5,6a]Tb)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]TbO)(C[5]N[5]2)(N[5]C[5]O)	C[5](N[5]C[5,6a]Tb)(N[5]C[5,6a]H)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Tb<15>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[5](N[5]C[5]TbO)(C[5]N[5]2)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	121.2780	0.000	1	121.2780	0.000	1	121.2675	0.000	2	121.2675	0.000	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:2:	N[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:P[5]-2:	C[5](N[5]C[6a]C[5])2(C[5]O[5]P[5])	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]N[5]2)(O[5]C[5])(P[5]P[5])	C[5](N[5]C[6a]C[5])2(C[5]O[5]P[5]){1|P<2>,2|H<1>,5|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|O<2>,1|P<2>,2|C<4>,3|C<3>}	C[5](C[5]N[5]2)(O[5]C[5])(P[5]P[5]){1|O<1>,4|C<3>}	126.8600	2.165	2	126.8600	4.688	2	126.8600	4.688	2	126.8600	4.688	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]O)2	C[5](C[5]N[5]2)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(N[5]C[5]C){1|B<4>,1|C<4>,2|C<3>,2|O<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]O)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]N[5]2)(N[5]C[5]C)(H){1|B<4>,1|C<4>,2|C<3>}	130.0980	0.000	2	130.0980	0.000	2	130.0980	0.000	2	130.0980	0.000	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[5]C[5]2)	N[5](C[5]C[5]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[5]C[5]2){1|N<3>,3|H<1>,5|C<3>}	N[5](C[5]C[5]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,5|C<3>}	124.9790	0.197	2	124.9790	0.039	2	124.9790	0.039	2	124.9790	0.039	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,8|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,8|C<3>}	125.0840	0.057	2	125.0840	0.003	2	125.0840	0.003	2	127.7191	6.540	24	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	124.3915	0.753	2	124.3915	0.567	2	124.3915	0.567	2	127.7191	6.540	24	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[5]C[5]2)	N[5](C[5]C[5]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[5]C[5]2){1|N<3>,3|H<1>,5|C<3>}	N[5](C[5]C[5]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,5|C<3>}	125.5185	0.448	2	125.5185	0.200	2	125.5185	0.200	2	127.7191	6.540	24	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){1|Ir<6>,1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){1|Ir<6>,1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	128.4402	0.945	4	128.1729	0.518	8	128.1729	0.518	8	127.7191	6.540	24	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	128.0240	0.461	2	128.1729	0.518	8	128.1729	0.518	8	127.7191	6.540	24	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){2|Pd<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){2|Pd<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	127.7870	0.324	2	128.1729	0.518	8	128.1729	0.518	8	127.7191	6.540	24	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[5]C[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5]Cl)2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[5]C[5]2){2|Cl<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5]C[5]Cl)2(C[5]N[5]2){2|Cl<1>,4|C<3>}	126.9887	0.522	6	126.9887	0.272	6	126.9887	0.272	6	127.7191	6.540	24	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(N[5]C[5]Ir)(C[5]N[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(N[5]C[5]Ir)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])(N[5]C[5]Ir)(C[5]N[5]2){2|H<1>,5|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ir<6>,2|C<3>,2|N<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]Ir)(C[5]N[5]2){2|H<1>,5|C<3>}	134.2770	0.362	2	134.2770	0.131	2	131.9890	7.052	4	127.7191	6.540	24	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[5]N[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2){2|O<1>,8|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])2(C[5]N[5]2){2|O<1>,8|C<3>}	129.7010	0.291	2	129.7010	0.085	2	131.9890	7.052	4	127.7191	6.540	24	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|O<1>,4|C<3>}	129.9720	0.000	1	129.9720	0.000	1	130.1305	0.050	2	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	130.2890	0.000	1	130.2890	0.000	1	130.1305	0.050	2	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C)	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH)	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C){1|C<3>,1|N<3>,1|S<1>,1|S<2>,2|C<4>}	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C){1|C<3>,1|N<3>,1|S<1>,1|S<2>,2|C<4>}	124.7445	2.131	2	124.7445	4.539	2	124.7445	4.539	2	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]2)(N[5]C[5]O)2	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]O)2{2|C<3>,6|C<4>}	126.6468	0.589	10	126.6468	0.347	10	125.8900	0.645	28	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]2)(N[5]C[5]C)2	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|H<1>}	124.9557	0.630	4	124.9557	0.396	4	125.8900	0.645	28	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]2)(N[5]C[5]C)2	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<3>,2|C<4>,2|H<1>}	126.0083	0.398	4	126.0083	0.159	4	125.8900	0.645	28	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]2)(N[5]C[5]O)2	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]O)2{2|C<3>,6|C<4>}	125.4596	0.409	10	125.4596	0.168	10	125.8900	0.645	28	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]Pd)(C[5]N[5]2)(N[5]C[5]C)	C[5](C[5]N[5]2)(N[5]C[5]C)2{1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Pd)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	125.7560	0.127	2	125.7560	0.016	2	125.7560	0.016	2	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](N[5]C[5]Pd)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]2)(N[5]C[5]C)2	C[5](N[5]C[5]Pd)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Pd<4>,1|H<1>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]C)2{1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	123.9030	0.000	1	123.9030	0.000	1	123.9030	0.000	1	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Cu<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]2)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	125.5640	0.420	2	125.5640	0.176	2	128.2207	30.730	39	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Ir<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	133.9947	0.892	6	133.9947	0.796	6	128.2207	30.730	39	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Ir)(C[5]N[5]2)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	135.5195	1.277	6	135.5195	1.630	6	128.2207	30.730	39	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	136.8450	0.552	2	136.8450	0.304	2	128.2207	30.730	39	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Pt)(C[5]N[5]2)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	133.0240	0.000	1	133.0240	0.000	1	128.2207	30.730	39	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Re)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Re)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Re)(C[5]N[5]2)(N[5]C[5]C){1|Re<6>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Re<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Re)(C[5]N[5]2)(N[5]C[5]C){1|Re<6>,1|C<4>,2|C<3>,2|H<1>}	121.8113	1.058	4	121.8113	1.120	4	128.2207	30.730	39	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C){1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Rh<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C){1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	124.4658	0.300	6	124.4658	0.090	6	128.2207	30.730	39	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C){1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Rh<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C){1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	125.7875	0.045	2	125.7875	0.002	2	128.2207	30.730	39	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C){1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Rh<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C){1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	124.3723	0.334	4	124.3723	0.111	4	128.2207	30.730	39	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]C){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]C){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	123.7630	1.108	6	123.7630	1.227	6	128.2207	30.730	39	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C){3|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C){3|C<3>,3|C<4>,4|H<1>}	124.9780	0.000	1	124.9780	0.000	1	124.9780	0.000	1	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5](C[5]N[5]2)(N[5]C[5]O)2	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|Mn<6>,2|C<3>,5|C<4>}	124.0210	0.100	2	124.0210	0.010	2	124.0210	0.010	2	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	127.6520	0.100	2	127.6520	0.010	2	127.5997	9.630	10	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	125.8943	1.878	6	125.8943	3.526	6	127.5997	9.630	10	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]HH)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[5]N[5]2){1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]HH){1|Ir<6>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]C)(C[5]N[5]2){1|C<4>,4|C<3>}	132.6635	0.537	2	132.6635	0.288	2	127.5997	9.630	10	127.1231	16.693	87	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|N<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	125.7618	0.336	4	125.7618	0.113	4	126.0331	2.120	8	126.0331	2.120	8	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	126.3045	2.154	4	126.3045	4.638	4	126.0331	2.120	8	126.0331	2.120	8	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:2:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:N[5]-2:	C[5](C[5]N[5]2)(N[5]C[5]H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]C[5])	C[5](C[5]N[5]2)(N[5]C[5]H)2{2|C<4>,5|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]C[5]){2|C<4>,6|H<1>}	123.2535	2.167	2	123.2535	4.697	2	123.2535	4.697	2	123.3600	1.597	4	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:2:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5]-3:C[5]-3:S[5]-2:	C[5](C[5]N[5]S[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](N[5]C[5]Mn)(C[5]N[5]2)(S[5]C[5])	C[5](C[5]N[5]S[5])(N[5]C[5]O)2{1|Mn<6>,2|C<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|N<3>,1|O<2>,1|S<2>,2|C<4>}	C[5](N[5]C[5]Mn)(C[5]N[5]2)(S[5]C[5]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.3120	0.000	1	123.3120	0.000	1	123.4665	0.048	2	123.3600	1.597	4	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:2:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5]-3:C[5]-3:S[5]-2:	C[5](C[5]N[5]S[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(S[5]C[5])	C[5](C[5]N[5]S[5])(N[5]C[5]O)2{1|Ni<6>,2|C<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|N<3>,1|O<2>,1|S<2>,2|C<4>}	C[5](N[5]C[5]Ni)(C[5]N[5]2)(S[5]C[5]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.6210	0.000	1	123.6210	0.000	1	123.4665	0.048	2	123.3600	1.597	4	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]2)(N[5]C[5]C)2	C[5](C[5]N[5]2)(N[5]C[5]O)2{2|C<3>,6|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<4>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>}	124.9564	1.022	20	124.9564	1.043	20	124.8735	1.051	22	125.3128	1.873	42	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]2)(N[5]C[5]O)2	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|O<1>,1|O<2>,6|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<4>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|O<1>,1|O<2>,6|C<4>}	124.0435	0.859	2	124.0435	0.738	2	124.8735	1.051	22	125.3128	1.873	42	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Co<6>,1|C<3>,1|N<3>,5|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]C){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	126.0770	0.000	1	126.0770	0.000	1	125.1274	1.111	5	125.3128	1.873	42	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Co<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.8300	0.000	1	123.8300	0.000	1	125.1274	1.111	5	125.3128	1.873	42	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](N[5]C[5]Mn)(C[5]N[5]2)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Mn<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[5](N[5]C[5]Mn)(C[5]N[5]2)(C[5]N[5]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	124.6930	0.025	2	124.6930	0.001	2	125.1274	1.111	5	125.3128	1.873	42	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Ni<6>,1|C<3>,1|N<3>,5|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]N[5]C){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	126.3440	0.000	1	126.3440	0.000	1	125.1274	1.111	5	125.3128	1.873	42	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](N[5]C[5,6a]Eu)(N[5]C[5,6a]H)(C[5]N[5]2)	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|Eu<13>,1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<4>,2|N<3>}	C[5](N[5]C[5,6a]Eu)(N[5]C[5,6a]H)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	125.2295	2.863	4	125.2295	8.197	4	125.7598	6.666	6	125.3128	1.873	42	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[5]N[5]2)	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|Mn<6>,2|C<3>,5|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|O<2>,2|C<4>,2|N<3>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	126.8205	2.316	2	126.8205	5.363	2	125.7598	6.666	6	125.3128	1.873	42	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]H){2|C<4>,5|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|Co<6>,2|H<1>,2|N<3>}	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]H){2|C<4>,5|H<1>}	126.0245	0.346	2	126.0245	0.120	2	126.1919	0.544	9	125.3128	1.873	42	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H){2|C<4>,5|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|Fe<6>,2|H<1>,2|N<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H){2|C<4>,5|H<1>}	127.0427	0.481	3	127.0427	0.232	3	126.1919	0.544	9	125.3128	1.873	42	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Ni)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(N[5]C[5]H){2|C<4>,5|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|Ni<6>,2|H<1>,2|N<3>}	C[5](N[5]C[5]Ni)(C[5]N[5]2)(N[5]C[5]H){2|C<4>,5|H<1>}	125.6375	0.324	4	125.6375	0.105	4	126.1919	0.544	9	125.3128	1.873	42	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-4:N[5]-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|C<3>}	123.1640	0.000	1	123.1640	0.000	1	123.1640	0.000	1	123.1640	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	C[5](C[5]C[5]N[5])(C[5]S[5]H)(S[5]C[5])	C[5](C[5]C[5]S[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5]C[5]N[5])(C[5]S[5]H)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	128.0050	0.000	1	128.0050	0.000	1	128.0050	0.000	1	127.6920	0.104	3	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:2:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[5]-3:C[5]-3:S[5]-2:	C[5](C[5]N[5]S[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OMn)	C[5](N[5]C[5]Mn)(C[5]N[5]2)(S[5]C[5])	C[5](C[5]N[5]S[5])(N[5]C[5]O)2{1|Mn<6>,2|C<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OMn){1|N<3>,1|O<1>,1|S<2>,2|C<4>}	C[5](N[5]C[5]Mn)(C[5]N[5]2)(S[5]C[5]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	127.7090	0.000	1	127.7090	0.000	1	127.5355	0.060	2	127.6920	0.104	3	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:2:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[5]-3:C[5]-3:S[5]-2:	C[5](C[5]N[5]S[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(S[5]C[5])	C[5](C[5]N[5]S[5])(N[5]C[5]O)2{1|Ni<6>,2|C<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi){1|N<3>,1|O<1>,1|S<2>,2|C<4>}	C[5](N[5]C[5]Ni)(C[5]N[5]2)(S[5]C[5]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	127.3620	0.000	1	127.3620	0.000	1	127.5355	0.060	2	127.6920	0.104	3	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi)	C[5](C[5]N[5]2)(N[5]C[5]O)2	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|O<1>,1|O<2>,6|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi){1|O<1>,2|C<4>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|O<1>,1|O<2>,6|C<4>}	125.3695	0.835	2	125.3695	0.697	2	125.3695	0.697	2	125.7008	2.349	13	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OCo)	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Co<6>,1|C<3>,1|N<3>,5|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OCo){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]C){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	126.2820	0.000	1	126.2820	0.000	1	126.7088	0.999	5	125.7008	2.349	13	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OCo)	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Co<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OCo){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	127.6530	0.000	1	127.6530	0.000	1	126.7088	0.999	5	125.7008	2.349	13	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OMn)	C[5](N[5]C[5]Mn)(C[5]N[5]2)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Mn<6>,1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OMn){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5](N[5]C[5]Mn)(C[5]N[5]2)(C[5]N[5]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	127.2165	0.238	2	127.2165	0.057	2	126.7088	0.999	5	125.7008	2.349	13	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]O)2{1|Ni<6>,1|C<3>,1|N<3>,5|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(ONi){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]N[5]C){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	125.1760	0.000	1	125.1760	0.000	1	126.7088	0.999	5	125.7008	2.349	13	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[5]-3:N[5]-3:C[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OEu)	C[5](N[5]C[5,6a]Eu)(N[5]C[5,6a]H)(C[5]N[5]2)	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|Eu<13>,1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OEu){1|O<1>,2|C<4>,2|N<3>}	C[5](N[5]C[5,6a]Eu)(N[5]C[5,6a]H)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	125.8680	1.199	4	125.8680	1.437	4	124.9712	2.999	6	125.7008	2.349	13	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[5]-3:N[5]-3:C[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]O)2	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OMn)	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[5]N[5]2)	C[5](C[5]N[5]2)(N[5]C[5]O)2{1|Mn<6>,2|C<3>,5|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(OMn){1|O<1>,2|C<4>,2|N<3>}	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]C)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	123.1775	1.018	2	123.1775	1.035	2	124.9712	2.999	6	125.7008	2.349	13	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	4:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5])(C[5]C[5]H)	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]C[5]N[5])(C[5]C[5]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,8|H<1>}	125.2720	0.000	1	125.2720	0.000	1	125.2720	0.000	1	125.2720	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(N[5]C[5]2)	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6a]){1|C<4>,2|H<1>,5|C<3>}	126.2100	0.215	2	126.2100	0.046	2	126.2100	0.046	2	126.2100	0.046	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C[5]-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]2)	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)2	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	128.8020	0.000	1	128.8020	0.000	1	128.8020	0.000	1	125.3998	3.669	5	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5]2)(N[5]C[5]C)2	C[5](C[5]N[5]2)(N[5]C[5]C)2{4|C<4>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]C)2{4|C<4>,4|H<1>}	124.5493	0.262	4	124.5493	0.069	4	124.5493	0.069	4	125.3998	3.669	5	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2)(C[5]O[5]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){2|C<3>,3|C<4>}	122.8800	0.000	1	122.8800	0.000	1	122.5985	0.158	2	122.5985	0.158	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]2)(C[5]O[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(O){2|C<4>,3|C<3>}	122.3170	0.000	1	122.3170	0.000	1	122.5985	0.158	2	122.5985	0.158	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]2)(C[5]O[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	127.2590	0.000	1	127.2590	0.000	1	127.2590	0.000	1	127.2590	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	4:3:4:	C[5]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2)(C[5]O[5]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3){1|O<1>,3|C<3>,3|C<4>}	126.6780	0.000	1	126.6780	0.000	1	126.6780	0.000	1	126.6780	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:4:3:	3:4:3:	3:3:1:	N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	128.8310	0.000	1	128.8310	0.000	1	128.8310	0.000	1	128.8310	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:4:3:	3:4:3:	3:3:3:	N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]C)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]C){1|C<4>,3|C<3>,3|H<1>}	128.7090	0.000	1	128.7090	0.000	1	128.7090	0.000	1	128.7090	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:4:3:	3:4:3:	3:4:3:	N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]C)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]C){1|C<3>,1|C<4>,4|H<1>}	127.0780	0.000	1	127.0780	0.000	1	127.0780	0.000	1	127.0780	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:4:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-4:N[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2)	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	125.9290	0.000	1	125.9290	0.000	1	125.9290	0.000	1	128.9705	18.501	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:4:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-4:N[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2)	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]N)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,3|C<3>,3|H<1>}	132.0120	0.000	1	132.0120	0.000	1	132.0120	0.000	1	128.9705	18.501	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:4:3:	4:3:4:	3:3:3:	C[5]-3:C[5]-4:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH){2|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	126.0300	0.269	2	126.0300	0.072	2	126.0300	0.072	2	126.0300	0.072	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:4:3:	4:3:4:	3:4:3:	C[5]-3:C[5]-4:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C){2|H<1>,7|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCHH){1|N<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C){2|H<1>,7|C<4>}	121.0647	1.229	6	121.0647	1.510	6	121.0647	1.510	6	121.0647	1.510	6	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(H)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|O<1>,3|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|H<1>,2|O<2>,4|C<3>}	124.6260	0.000	1	124.6260	0.000	1	124.6260	0.000	1	123.4450	2.790	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H){1|N<3>,1|O<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	122.2640	0.000	1	122.2640	0.000	1	122.2640	0.000	1	123.4450	2.790	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5]C[5,6]C[5])(C[5]C[5,6a]O)2	C[5](C[5]C[5,6]N[5])(N[5]C[5,6]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|S<4>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6]C[5])(C[5]C[5,6a]O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]N[5])(N[5]C[5,6]S)(H){1|C<4>,1|H<1>,4|C<3>}	124.8840	0.000	1	124.9940	0.024	2	124.9940	0.024	2	124.9940	0.024	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5]C[5,6]C[5])(C[5]C[5,6a]O)2	C[5](C[5]C[5,6]N[5])(N[5]C[5,6]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2){1|S<4>,2|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6]C[5])(C[5]C[5,6a]O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]N[5])(N[5]C[5,6]S)(H){2|H<1>,4|C<3>}	125.1040	0.000	1	124.9940	0.024	2	124.9940	0.024	2	124.9940	0.024	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|O<2>,5|C<3>}	127.5290	0.000	1	127.5290	0.000	1	127.5290	0.000	1	127.5290	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:4:1:	3:3:3:	N[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5]GdO)(C[5]N[5]2)(N[5]C[5]O)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](N[5]C[5,6a]Gd)(N[5]C[5,6a]H)(C[5]N[5]2)	C[5](N[5]C[5]GdO)(C[5]N[5]2)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|Gd<15>,1|O<2>,2|C<4>,2|N<3>}	C[5](N[5]C[5,6a]Gd)(N[5]C[5,6a]H)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	124.9520	0.000	1	124.9520	0.000	1	125.0340	0.013	2	125.0340	0.013	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:4:1:	3:3:3:	N[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5]TbO)(C[5]N[5]2)(N[5]C[5]O)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](N[5]C[5,6a]Tb)(N[5]C[5,6a]H)(C[5]N[5]2)	C[5](N[5]C[5]TbO)(C[5]N[5]2)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|Tb<15>,1|O<2>,2|C<4>,2|N<3>}	C[5](N[5]C[5,6a]Tb)(N[5]C[5,6a]H)(C[5]N[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	125.1160	0.000	1	125.1160	0.000	1	125.0340	0.013	2	125.0340	0.013	2	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(C[5]C[5]2)	N[5](C[5,6]N[5,5,6]C[6,6a]H)(C[5]C[5,5]C[5])(H)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)2	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(C[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5](C[5,6]N[5,5,6]C[6,6a]H)(C[5]C[5,5]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	123.5040	0.000	1	123.5040	0.000	1	123.5040	0.000	1	123.5040	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	4:3:3:	3:3:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2)	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	126.2220	0.000	1	126.2220	0.000	1	126.2220	0.000	1	126.2220	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	4:3:3:	3:3:4:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2)	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	129.7890	0.000	1	129.7890	0.000	1	129.7890	0.000	1	129.7890	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	4:3:4:	3:3:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH)	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	122.3677	0.438	3	122.3677	0.192	3	122.3677	0.192	3	122.3677	0.192	3	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	4:4:3:	3:3:1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]O[5]O)(Cl)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)2(C[5]C[5]2){1|Cl<1>,1|C<3>,2|O<2>,3|H<1>}	C[5](C[5]C[5]N[5])(C[5]O[5]O)(Cl){1|H<1>,1|O<2>,2|C<4>}	133.0880	0.000	1	133.0880	0.000	1	133.0880	0.000	1	133.0880	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	4:4:3:	3:3:4:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5]HH)2(C[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	129.8000	0.000	1	129.8000	0.000	1	129.8000	0.000	1	129.8000	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	4:4:3:	3:4:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2){2|C<4>,8|H<1>}	N[5](C[5]C[5]HH)2(C[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CCO){2|C<4>,4|H<1>}	129.8830	0.000	1	129.8830	0.000	1	129.8830	0.000	1	129.8830	0.000	1	127.9259	17.558	504	128.2193	19.960	523
818	542	818	0:SP2_SP2_SP3	C[5,5]	N[5]	C[5]	4:3:3:	3:3:3:	3:4:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-3:C[5]-3:C-3:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(N[5]C[5]C)	N[5](C[5,5]C[5,5]C[5])(C[5]N[5]N)(COO)	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(N[5]C[5]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[5]N[5]N)(COO){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,6|C<3>,7|H<1>}	135.5240	0.000	1	135.5240	0.000	1	135.5240	0.000	1	135.5240	0.000	1	135.5240	0.000	1	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	N[5,6]-3:C[5,6]-3:N[5]-3:	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	128.9970	1.696	6	128.9970	2.876	6	128.9970	2.876	6	128.9970	2.876	6	128.9970	2.876	6	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:S[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S[5]-2:	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a])	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a]){1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5](C[5]N[5]S[5])(N[5]C[5,6a]C)(S[5]C[5,6a]){1|C<4>,4|C<3>}	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	125.0180	0.025	2	125.0180	0.001	2	125.0180	0.001	2	124.9897	0.263	6	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5])	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5]){1|O<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5]){1|O<1>,7|C<3>}	124.7485	1.013	2	124.7485	1.027	2	124.7485	1.027	2	124.9897	0.263	6	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[5]N[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2){2|O<1>,8|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])2(C[5]N[5]2){2|O<1>,8|C<3>}	125.2025	0.285	2	125.2025	0.081	2	125.2025	0.081	2	124.9897	0.263	6	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C){3|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C){3|C<3>,3|C<4>,4|H<1>}	125.0300	0.000	1	125.0300	0.000	1	125.0300	0.000	1	125.9978	0.982	5	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	126.9375	0.894	2	126.9375	0.800	2	126.2398	0.918	4	125.9978	0.982	5	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2)	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]C)2(C[5]N[5]2){2|C<4>,4|C<3>}	125.5420	0.089	2	125.5420	0.008	2	126.2398	0.918	4	125.9978	0.982	5	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|C<4>,2|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	120.5480	0.000	1	121.0905	0.589	2	122.7847	8.905	3	124.4066	10.675	5	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|O<2>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	121.6330	0.000	1	121.0905	0.589	2	122.7847	8.905	3	124.4066	10.675	5	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|H<1>,2|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|O<1>,3|C<4>,4|C<3>}	126.1730	0.000	1	126.1730	0.000	1	122.7847	8.905	3	124.4066	10.675	5	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	126.8395	2.272	2	126.8395	5.162	2	126.8395	5.162	2	124.4066	10.675	5	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:2:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:N[5]-2:	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5])	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H){2|C<4>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]){2|C<4>,5|H<1>}	125.0390	0.000	1	125.0390	0.000	1	126.7765	6.038	2	126.7765	6.038	2	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:2:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:N[5]-2:	C[5](N[5]C[5]Ru)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]2)(N[5]C[5])	C[5](N[5]C[5]Ru)(C[5]N[5]2)(N[5]C[5]H){2|C<4>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|Ru<9>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]2)(N[5]C[5]){2|C<4>,5|H<1>}	128.5140	0.000	1	128.5140	0.000	1	126.7765	6.038	2	126.7765	6.038	2	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H){2|C<4>,5|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|Fe<6>,2|H<1>,2|N<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H){2|C<4>,5|H<1>}	126.4920	0.000	1	126.4920	0.000	1	126.4920	0.000	1	126.4920	0.000	1	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C){3|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]2)(N[5]C[5]C){3|C<3>,3|C<4>,4|H<1>}	125.4495	2.405	2	125.4495	5.783	2	125.4495	5.783	2	125.4495	5.783	2	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	3:4:3:	3:4:2:	N[5]-3:C[5]-3:C[5]-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:O[5]-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]O[5])(C[5]C[5]CC)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O[5]C[5,5])	C[5](N[5]C[6a]C[5])(C[5]C[5]O[5])(C[5]C[5]CC){2|H<1>,3|C<3>,5|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]2){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<1>,5|C<4>}	127.4650	0.000	1	127.4650	0.000	1	127.4650	0.000	1	127.4650	0.000	1	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:4:3:	3:4:3:	3:4:3:	N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CCC)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CCC){1|C<3>,1|C<4>,4|H<1>}	125.9720	0.000	1	125.9720	0.000	1	125.9720	0.000	1	125.9720	0.000	1	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	4:3:3:	3:3:4:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|C<4>,2|O<2>,4|C<3>}	128.1950	0.000	1	128.1950	0.000	1	128.1950	0.000	1	128.1950	0.000	1	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	4:3:3:	4:3:4:	3:3:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CC3)	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]2)(CC3){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	120.6970	0.000	1	120.6970	0.000	1	117.6830	18.168	2	117.6830	18.168	2	124.8136	9.283	27	125.8668	13.264	34
818	542	818	0:SP2_SP2_SP3	C[5]	N[5]	C[5]	4:3:3:	4:3:4:	3:3:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH)	C[5](C[5]C[5]N[5])(N[5]C[5]C)2	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]C)2{7|C<4>}	114.6690	0.000	1	114.6690	0.000	1	117.6830	18.168	2	117.6830	18.168	2	124.8136	9.283	27	125.8668	13.264	34
818	542	818	5:SP2_SP2_SP2	C[5,5,6]	N[5,6]	C[5,5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,5,6]-3:N[5,6]-3:N[5,6]-3:	C[5,5,6]-3:As[5]-3:C[6]-4:	C[5,5,6]-3:N[5,6]-3:N[5,6]-3:	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5])	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(As[5]N[5,6]Cl)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5])	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5]){1|Cl<1>,1|N<3>,3|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(As[5]N[5,6]Cl)(C[6]C[6]HH){1|N<3>,1|P<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5]){1|Cl<1>,1|N<3>,3|C<4>,4|H<1>}	116.6690	0.334	2	116.6690	0.111	2	116.6690	0.111	2	114.4398	6.677	4	114.4398	6.677	4	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5,6]	N[5,6]	C[5,5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,5,6]-3:N[5,6]-3:N[5,6]-3:	C[5,5,6]-3:P[5]-3:C[6]-4:	C[5,5,6]-3:N[5,6]-3:N[5,6]-3:	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5])	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(P[5]N[5,6]N)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5])	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5]){1|Cl<1>,1|N<3>,3|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(P[5]N[5,6]N)(C[6]C[6]HH){1|As<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5]){1|Cl<1>,1|N<3>,3|C<4>,4|H<1>}	112.2105	0.203	2	112.2105	0.041	2	112.2105	0.041	2	114.4398	6.677	4	114.4398	6.677	4	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5,6]	N[5]	C[5,5,6]	3:4:3:	3:3:3:	4:3:4:	C[5,5,6]-3:C[5,5,6]-4:N[5]-3:	C[5,5,6]-3:Ge[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-3:P[5,5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5])	N[5](C[5,5,6]C[5,5,6]2)(Ge[5]P[5,5]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(P[5,5]Ge[5]N[5]2)	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5]){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	N[5](C[5,5,6]C[5,5,6]2)(Ge[5]P[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<3>,4|C<3>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(P[5,5]Ge[5]N[5]2){2|C<3>,5|C<4>,5|H<1>}	124.7280	0.000	1	124.7280	0.000	1	124.7280	0.000	1	124.7280	0.000	1	125.4800	1.131	2	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5,6]	N[5]	C[5,5,6]	3:4:3:	4:3:3:	4:3:4:	C[5,5,6]-3:C[5,5,6]-4:N[5]-3:	Ge[5]-4:C[5,5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-3:P[5,5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5])	N[5](Ge[5]P[5,5]C[6a]Rh)(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(P[5,5]Ge[5]N[5]2)	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5]){1|Rh<6>,1|C<4>,2|N<3>,3|C<3>,5|H<1>}	N[5](Ge[5]P[5,5]C[6a]Rh)(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2){1|H<1>,2|N<3>,4|C<3>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(P[5,5]Ge[5]N[5]2){1|Rh<6>,2|C<3>,5|C<4>,5|H<1>}	126.2320	0.000	1	126.2320	0.000	1	126.2320	0.000	1	126.2320	0.000	1	125.4800	1.131	2	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[5]-3:	In[5,6]-6:N[5,6]-3:C[5,5]-3:	C[5,5]-3:N[5,6]-3:C[6]-3:	C[5,5](N[5,5,6]In[5,6]N[5,6])(C[5,6]N[5,6]C[6])(C[5]C[5]H)	N[5,5,6](In[5,6]N[5,6]2Cl2O)(N[5,6]In[5,6]C[5])(C[5,5]C[5,6]C[5])	C[5,6](C[5,5]N[5,5,6]C[5])(N[5,6]In[5,6]C[6])(C[6]C[6]H)	C[5,5](N[5,5,6]In[5,6]N[5,6])(C[5,6]N[5,6]C[6])(C[5]C[5]H){1|In<6>,2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5,5,6](In[5,6]N[5,6]2Cl2O)(N[5,6]In[5,6]C[5])(C[5,5]C[5,6]C[5]){2|Cl<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5]N[5,5,6]C[5])(N[5,6]In[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	119.1790	0.000	1	119.1790	0.000	1	119.1790	0.000	1	119.1790	0.000	1	119.1790	0.000	1	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5,6]	C[5]	3:3:3:	6:3:3:	3:3:1:	N[5,5,6]-3:C[5,6]-3:C[5]-3:	In[5,6]-6:N[5,6]-3:C[5,5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](N[5,5,6]In[5,6]N[5,6])(C[5,6]N[5,6]C[6])(C[5]C[5]H)	N[5,5,6](In[5,6]N[5,6]2Cl2O)(N[5,6]In[5,6]C[5])(C[5,5]C[5,6]C[5])	C[5](C[5,5]N[5,5,6]C[5,6])(C[5]N[5,6]H)(H)	C[5,5](N[5,5,6]In[5,6]N[5,6])(C[5,6]N[5,6]C[6])(C[5]C[5]H){1|In<6>,2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5,5,6](In[5,6]N[5,6]2Cl2O)(N[5,6]In[5,6]C[5])(C[5,5]C[5,6]C[5]){2|Cl<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]N[5,5,6]C[5,6])(C[5]N[5,6]H)(H){2|In<6>,1|C<3>,1|N<3>}	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:2:	3:3:4:	3:3:2:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	N[5,5](C[5,5]C[5,5]O[5])(C[5]B[6,6]N[5,5])(C[5]C[5]CH)	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){1|B<4>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]B[6,6]N[5,5])(C[5]C[5]CH){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){1|B<4>,3|C<4>,3|H<1>}	106.4603	0.458	4	106.4603	0.209	4	106.4933	0.169	41	106.4933	0.169	41	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:2:	3:3:4:	3:3:2:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH)	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){1|B<4>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]B)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){1|B<4>,3|C<4>,3|H<1>}	106.3517	0.201	4	106.3517	0.040	4	106.4933	0.169	41	106.4933	0.169	41	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:2:	3:3:4:	3:3:2:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC)	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){1|Ga<4>,2|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Ga)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){1|Ga<4>,2|H<1>,4|C<4>}	106.7564	0.391	8	106.7564	0.153	8	106.4933	0.169	41	106.4933	0.169	41	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:2:	3:3:4:	3:3:2:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CC)	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){3|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){3|H<1>,4|C<4>}	106.2678	0.200	4	106.2678	0.040	4	106.4933	0.169	41	106.4933	0.169	41	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:2:	3:3:4:	3:3:2:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CH)	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){3|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){3|C<4>,4|H<1>}	106.3155	0.127	2	106.3155	0.016	2	106.4933	0.169	41	106.4933	0.169	41	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:2:	3:3:4:	3:3:2:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]P)(C[5]C[5]CH)	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){1|P<3>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]P)(C[5]C[5]CH){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){1|P<3>,3|C<4>,3|H<1>}	106.7610	0.438	2	106.7610	0.192	2	106.4933	0.169	41	106.4933	0.169	41	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:2:	3:3:4:	3:3:2:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Pd)(C[5]C[5]CC)	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){1|Pd<4>,2|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Pd)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){1|Pd<4>,2|H<1>,4|C<4>}	106.5550	0.212	2	106.5550	0.045	2	106.4933	0.169	41	106.4933	0.169	41	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:2:	3:3:4:	3:3:2:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Rh)(C[5]C[5]CC)	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5])	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){1|Rh<4>,2|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5]N[5,5]Rh)(C[5]C[5]CC){1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5]2)(O[5]C[5]){1|Rh<4>,2|H<1>,4|C<4>}	106.4396	0.497	15	106.4396	0.247	15	106.4933	0.169	41	106.4933	0.169	41	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:2:	3:4:3:	3:3:2:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,5]C[5])(O[5]C[5])	N[5,5](C[5,5]C[5,5]O[5])(C[5,5]C[5]3)(C[5]N[5,5]H)	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,5]C[5])(O[5]C[5])	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,5]C[5])(O[5]C[5]){3|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5,5]C[5]3)(C[5]N[5,5]H){1|O<2>,3|C<4>,6|H<1>}	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,5]C[5])(O[5]C[5]){3|H<1>,4|C<4>}	106.2795	0.083	2	106.2795	0.007	2	106.2795	0.007	2	106.5327	0.237	6	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:2:	3:4:3:	3:3:2:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,6]C[5])(O[5]C[5])	N[5,5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[5]N[5,5]H)	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,6]C[5])(O[5]C[5])	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,6]C[5])(O[5]C[5]){3|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[5]N[5,5]H){1|O<2>,4|C<4>,5|H<1>}	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,6]C[5])(O[5]C[5]){3|H<1>,4|C<4>}	107.1245	0.094	2	107.1245	0.009	2	106.6593	0.329	4	106.5327	0.237	6	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:2:	3:4:3:	3:3:2:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,6]C[5])(O[5]C[5])	N[5,5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[5]N[5,5]Ir)	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,6]C[5])(O[5]C[5])	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,6]C[5])(O[5]C[5]){1|Ir<4>,2|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[5]N[5,5]Ir){1|O<2>,3|C<4>,6|H<1>}	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,6]C[5])(O[5]C[5]){1|Ir<4>,2|H<1>,4|C<4>}	106.1940	0.335	2	106.1940	0.112	2	106.6593	0.329	4	106.5327	0.237	6	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:2:	4:3:3:	3:3:2:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:N[5,5]-3:O[5]-2:	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,5]C[5])(O[5]C[5,5])	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,5]O[5])(C[5]N[5,5]H)	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,5]C[5])(O[5]C[5,5])	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,5]C[5])(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,5]O[5])(C[5]N[5,5]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]N[5,5]O[5])(N[5,5]C[5,5]C[5])(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	106.0575	0.095	2	106.0575	0.009	2	106.0575	0.009	2	106.0575	0.009	2	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,5]	3:3:3:	3:3:4:	3:3:3:	C[5,5]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5,6a]-3:N[5,5]-3:	C[5,5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH)	C[5,5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2){1|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH){1|C<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2){1|C<4>,3|H<1>,5|C<3>}	106.4105	0.015	2	106.4105	0.000	2	106.4105	0.000	2	106.4105	0.000	2	106.4776	0.167	51	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,6]	3:3:2:	5:3:3:	3:3:3:	N[5,5]-3:C[5,6]-3:O[5]-2:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(O[5]C[5,6a])	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5])	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]O[5])(C[6]C[6]H)	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(O[5]C[5,6a]){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]){1|H<1>,6|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]O[5])(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	120.2375	0.234	2	120.2375	0.055	2	120.2375	0.055	2	120.2375	0.055	2	117.2341	4.828	9	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,6]	3:3:3:	5:3:3:	3:3:3:	N[5,5]-3:C[5,6]-3:N[5]-3:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H)	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]){1|C<4>,1|H<1>,6|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	117.4532	0.456	4	117.4532	0.208	4	117.4532	0.208	4	117.4532	0.208	4	117.2341	4.828	9	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,6]	3:3:4:	4:4:3:	3:3:3:	N[5,5]-3:C[5,6]-3:C[5]-4:	C[5,5]-4:Si[5]-4:C[5,5]-3:	C[5,5]-3:N[5,6]-3:C[6]-3:	C[5,5](N[5,5]C[5,5]Si[5])(C[5,6]N[5,6]C[6])(C[5]C[5,5]HH)	N[5,5](C[5,5]C[5,5]C[5]H)(Si[5]N[5,6]C[6a]2)(C[5,5]C[5,6]C[5])	C[5,6](C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,5](N[5,5]C[5,5]Si[5])(C[5,6]N[5,6]C[6])(C[5]C[5,5]HH){2|C<4>,3|H<1>,4|C<3>}	N[5,5](C[5,5]C[5,5]C[5]H)(Si[5]N[5,6]C[6a]2)(C[5,5]C[5,6]C[5]){2|C<4>,5|H<1>,6|C<3>}	C[5,6](C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	114.9397	1.400	3	114.9397	1.960	3	114.9397	1.960	3	114.9397	1.960	3	117.2341	4.828	9	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5]	3:3:2:	4:3:3:	3:3:4:	N[5,5]-3:C[5]-3:O[5]-2:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:N[5]-3:C-4:	C[5,5](N[5,5]C[5]2)(C[5]N[5]C)(O[5]C[5])	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]O[5])(C[5]N[5]H)	C[5](C[5,5]N[5,5]O[5])(N[5]C[5]C)(CCCH)	C[5,5](N[5,5]C[5]2)(C[5]N[5]C)(O[5]C[5]){1|C<3>,1|C<4>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]O[5])(C[5]N[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5]O[5])(N[5]C[5]C)(CCCH){1|H<1>,2|C<4>}	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	109.6060	8.832	11	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5]	3:3:2:	4:3:3:	4:3:3:	N[5,5]-3:C[5]-3:S[5]-2:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-3:C-3:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]C)(S[5]C[5])	N[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]S[5])(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]S[5])(COO)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]C)(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]S[5])(C[5]C[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]S[5])(COO){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	109.6060	8.832	11	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5]	3:3:3:	3:3:4:	3:4:4:	N[5,5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5,5]-4:C-4:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5,5]HH)	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]N[5]2)(CH3)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5,5]C){2|C<3>,2|H<1>,2|N<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5,5]HH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]N[5]2)(CH3){2|H<1>,3|C<4>,4|C<3>}	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	109.6060	8.832	11	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:N[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]N[5]H)	N[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]N[5]H)	C[5](C[5,5]C[5,6a]N[5,5])(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]N[5]H){1|C<4>,2|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]N[5]H){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5])(N[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	109.6060	8.832	11	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5]-3:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(N[5]C[5]H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(N[5]C[5]H){1|O<1>,3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|C<3>,3|H<1>}	113.1990	0.000	1	113.1990	0.000	1	113.1990	0.000	1	113.1990	0.000	1	109.6060	8.832	11	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5,5]-3:C[5]-3:N[5]-3:	C[5]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]C)(N[5]C[5]H)	N[5,5](C[5]C[6a]C[5]O)(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]C[6])(CC[6a]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]C)(N[5]C[5]H){1|O<2>,2|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]O)(C[5,5]C[5]N[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]C[6])(CC[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	109.6060	8.832	11	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5]	3:3:3:	4:3:4:	3:4:4:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6]-4:C[5,5]-3:S[5]-4:	C[5,5]-3:C[5,6]-4:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(C[5]C[5,6]C)	N[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a]OO)	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(C[5]C[5,6]C){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	109.6060	8.832	11	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5]	3:4:3:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:N[5]-3:H-1:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ir)	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|Ir<6>,1|C<3>,1|C<4>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ir){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H){1|Ir<6>,2|C<4>,2|H<1>}	106.2420	0.577	2	106.2420	0.333	2	106.7260	0.447	4	106.7260	0.447	4	109.6060	8.832	11	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5]	3:4:3:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:N[5]-3:H-1:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ni)	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|Ni<4>,1|C<3>,1|C<4>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ni){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H){1|Ni<4>,2|C<4>,2|H<1>}	107.2100	0.266	2	107.2100	0.071	2	106.7260	0.447	4	106.7260	0.447	4	109.6060	8.832	11	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:2:3:	3:3:4:	3:3:2:	C[5,5]-3:Se[5]-2:N[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5]-3:C[5,5]-3:S[5]-2:	C[5,5](C[5,5]C[5,5]S[5])(Se[5]C[5,5])(N[5]C[5]C)	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH)	C[5,5](C[5,5]C[5,5]S[5])(C[5,5]Se[5]N[5])(S[5]C[5])	C[5,5](C[5,5]C[5,5]S[5])(Se[5]C[5,5])(N[5]C[5]C){1|N<3>,1|S<1>,1|S<2>}	N[5](C[5,5]C[5,5]Se[5])(C[5]S[5]S)(CCHH){2|C<3>}	C[5,5](C[5,5]C[5,5]S[5])(C[5,5]Se[5]N[5])(S[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	115.1895	0.030	2	115.1895	0.001	2	115.1895	0.001	2	115.1895	0.001	2	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:2:3:	3:4:4:	3:3:4:	C[5,5]-3:N[5]-2:N[5]-3:	C[5,5]-3:C[5]-4:S-4:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5](C[5,5]C[5]2)(N[5]C[5,5])(N[5]C[5]S)	N[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]N[5]2)(C[5]C[5,5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2)(N[5]C[5,5])(N[5]C[5]S){1|C<4>,1|O<2>,5|H<1>}	N[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5,5]N[5]2)(C[5]C[5,5]H)(C[5]C[5]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:2:	3:3:3:	3:3:2:	C[5,5]-3:N[5]-3:P[5]-2:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:N[5]-3:P[5]-2:	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5])	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5])	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5]){1|Fe<5>,4|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|P<2>,1|P<3>,2|C<4>,5|C<3>}	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5]){1|Fe<5>,4|C<3>}	106.3130	0.174	2	106.2540	0.044	7	106.2540	0.044	7	106.6125	0.299	11	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:2:	3:3:3:	3:3:2:	C[5,5]-3:N[5]-3:P[5]-2:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:N[5]-3:P[5]-2:	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5])	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5])	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5]){1|Mo<6>,4|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|P<2>,1|P<3>,2|C<4>,5|C<3>}	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5]){1|Mo<6>,4|C<3>}	106.2557	0.264	4	106.2540	0.044	7	106.2540	0.044	7	106.6125	0.299	11	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:2:	3:3:3:	3:3:2:	C[5,5]-3:N[5]-3:P[5]-2:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5]-3:N[5]-3:P[5]-2:	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5])	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5])	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5]){4|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|P<2>,5|C<3>}	C[5,5](C[5,5]N[5]P[5])(N[5]C[6a]C[5])(P[5]P[5]){4|C<3>}	106.1290	0.000	1	106.2540	0.044	7	106.2540	0.044	7	106.6125	0.299	11	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:2:	3:3:3:	3:3:2:	C[5,5]-3:N[5]-3:S[5]-2:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:N[5]-3:S[5]-2:	C[5,5](C[5,5]N[5]S[5])(N[5]C[6a]C[5])(S[5]Ge[5,5])	N[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[5,5](C[5,5]N[5]S[5])(N[5]C[6a]C[5])(S[5]Ge[5,5])	C[5,5](C[5,5]N[5]S[5])(N[5]C[6a]C[5])(S[5]Ge[5,5]){1|S<1>,2|S<2>,4|C<3>}	N[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(C[5]N[5]S){1|Ge<5>,1|S<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]N[5]S[5])(N[5]C[6a]C[5])(S[5]Ge[5,5]){1|S<1>,2|S<2>,4|C<3>}	107.2400	0.292	4	107.2400	0.085	4	107.2400	0.085	4	106.6125	0.299	11	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-2:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,6|C<3>}	106.4025	0.503	2	106.4025	0.253	2	106.4025	0.253	2	111.2384	4.360	18	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){1|C<4>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	111.8177	1.431	10	111.7900	1.492	14	111.7900	1.492	14	111.2384	4.360	18	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	111.7208	0.561	4	111.7900	1.492	14	111.7900	1.492	14	111.2384	4.360	18	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]S[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(S[5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]S[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]S[5]){1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(S[5]N[5]){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]S[5]){1|H<1>,6|C<3>}	112.2130	1.240	2	112.2130	1.538	2	112.2130	1.538	2	111.2384	4.360	18	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5]C[5,6]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]N[5]Pd){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5]C[5,6]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|H<1>,6|C<3>}	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	108.8047	11.742	23	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5]C[5,6]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,5](C[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5]C[5,6]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd){2|C<4>,6|C<3>}	C[5,5](C[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	108.8047	11.742	23	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ir<4>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ir){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ir<4>,1|H<1>,6|C<3>}	107.5980	0.000	1	107.5947	0.259	3	107.5479	0.711	18	108.8047	11.742	23	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ir){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,1|H<1>,6|C<3>}	107.5930	0.720	2	107.5947	0.259	3	107.5479	0.711	18	108.8047	11.742	23	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ni<7>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ni){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ni<7>,1|H<1>,6|C<3>}	107.3880	0.737	2	107.3880	0.543	2	107.5479	0.711	18	108.8047	11.742	23	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|H<1>,6|C<3>}	107.6048	0.978	11	107.6048	0.957	11	107.5479	0.711	18	108.8047	11.742	23	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Rh){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,6|C<3>}	107.3245	1.125	2	107.3245	1.266	2	107.5479	0.711	18	108.8047	11.742	23	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:Ga[5]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]Mo)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|Mo<6>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]Mo){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|Mo<6>,1|H<1>,6|C<3>}	116.9630	0.000	1	116.9630	0.000	1	117.2353	0.322	3	108.8047	11.742	23	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:Ga[5]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]P)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]P){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,6|C<3>}	117.3715	0.730	2	117.3715	0.534	2	117.2353	0.322	3	108.8047	11.742	23	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,5]-3:N[5]-3:C[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:N[5]-3:C[5]-4:	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]C[5])(C[5]P[5]C)	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC)	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]C[5])(C[5]P[5]C){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,1|P<3>,2|C<3>,5|C<4>}	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	105.9880	0.000	1	105.9880	0.000	1	105.9880	0.000	1	105.9880	0.000	1	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:N[5]-3:C-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C)	N[5](C[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C){1|N<4>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,5]C[6a])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5,5]N[5]O[5]2)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,5]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,5]C[6a]){1|H<1>,2|O<2>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5,5]N[5]O[5]2)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,5]C[6a]){1|H<1>,2|O<2>,6|C<3>}	117.8445	0.349	2	117.8445	0.122	2	117.8445	0.122	2	118.3756	0.258	22	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]I)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]I)(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,7|C<3>}	118.4440	0.873	2	118.4440	0.761	2	118.4287	0.246	20	118.3756	0.258	22	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,7|C<3>}	118.5600	1.134	2	118.4000	0.464	4	118.4287	0.246	20	118.3756	0.258	22	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2){2|C<4>,2|N<3>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,7|C<3>}	118.2400	0.042	2	118.4000	0.464	4	118.4287	0.246	20	118.3756	0.258	22	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]Ga[5]N[5]I)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|Ga<4>,1|H<1>,1|I<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]Ga[5]N[5]I)(C[6a]C[6a]2){1|I<1>,2|C<4>,2|N<3>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|Ga<4>,1|H<1>,1|I<1>,6|C<3>}	118.2295	0.081	2	118.2295	0.007	2	118.4287	0.246	20	118.3756	0.258	22	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]II)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,2|I<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]II)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,2|I<1>,6|C<3>}	117.9510	0.460	2	117.9510	0.211	2	118.4287	0.246	20	118.3756	0.258	22	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]NO)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]NO)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	118.4730	0.327	2	118.4730	0.107	2	118.4287	0.246	20	118.3756	0.258	22	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,1|N<3>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,1|N<3>,6|C<3>}	118.8850	0.000	1	118.8850	0.000	1	118.4287	0.246	20	118.3756	0.258	22	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<3>,1|P<2>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<3>,1|P<2>,6|C<3>}	118.7200	0.460	5	118.7200	0.212	5	118.4287	0.246	20	118.3756	0.258	22	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]OO)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,2|O<2>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]OO)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,2|O<2>,6|C<3>}	118.1475	0.094	2	118.1475	0.009	2	118.4287	0.246	20	118.3756	0.258	22	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:6:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[3x5]-6:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[3x5]C[6a])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[3x5]N[5]5)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[3x5]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[3x5]C[6a]){1|H<1>,4|N<3>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[3x5]N[5]5)(C[6a]C[6a]2){14|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[3x5]C[6a]){1|H<1>,4|N<3>,6|C<3>}	117.3344	0.410	7	117.3344	0.168	7	117.3344	0.168	7	118.0697	1.011	15	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:6:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-6:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]Fe2SS)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){2|Fe<6>,1|H<1>,2|S<3>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]Fe2SS)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){2|Fe<6>,1|H<1>,2|S<3>,6|C<3>}	117.9005	0.588	2	117.9005	0.345	2	117.9005	0.345	2	118.0697	1.011	15	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:6:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:In[5,5]-6:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]In[5,5]C[6a])	N[5](C[5,5]C[5,6a]C[5,5])(In[5,5]N[5]3Cl2)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]In[5,5]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]In[5,5]C[6a]){2|Cl<1>,1|H<1>,2|N<3>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(In[5,5]N[5]3Cl2)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]In[5,5]C[6a]){2|Cl<1>,1|H<1>,2|N<3>,6|C<3>}	118.6715	0.885	4	118.6715	0.782	4	118.6715	0.782	4	118.0697	1.011	15	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	3:6:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:In[5]-6:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]In[5])	N[5](C[5,5]C[5,6a]C[5,5])(In[5]N[5]O[5]Cl3)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]In[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]In[5]){3|Cl<1>,1|H<1>,1|O<3>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(In[5]N[5]O[5]Cl3)(C[6a]C[6a]2){4|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]In[5]){3|Cl<1>,1|H<1>,1|O<3>,6|C<3>}	119.6085	0.654	2	119.6085	0.428	2	119.6085	0.428	2	118.0697	1.011	15	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	Ga[5,6]-4:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,6]C[6a])	N[5](Ga[5,6]Ga[5,6]N[5]O[6])(C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,6]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,6]C[6a]){1|Ga<4>,1|H<1>,1|O<2>,6|C<3>}	N[5](Ga[5,6]Ga[5,6]N[5]O[6])(C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|N<3>,7|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,6]C[6a]){1|Ga<4>,1|H<1>,1|O<2>,6|C<3>}	118.1825	0.022	2	118.1825	0.000	2	118.1825	0.000	2	118.1825	0.000	2	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,5]-3:N[5]-3:C[5]-4:	C[5,5]-3:C[6a]-3:P[5]-3:	C[5,5]-3:N[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC)	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(P[5]C[5]O)	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]C[5])(C[5]P[5]C)	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(P[5]C[5]O){1|N<3>,3|C<3>,5|C<4>}	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]C[5])(C[5]P[5]C){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	115.7400	0.000	1	115.7400	0.000	1	115.7400	0.000	1	115.7400	0.000	1	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:3:4:	3:3:3:	3:4:2:	C[5,5]-3:N[5]-3:C[5]-4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-4:S[5]-2:	C[5,5](C[5,5]C[5]S[5])(N[5]C[6a]C[5])(C[5]C[5]HH)	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(S[5]C[5])	C[5,5](C[5,5]C[5]S[5])(N[5]C[6a]C[5])(C[5]C[5]HH){1|S<1>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]S[5]S){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(S[5]C[5]){1|C<3>,1|S<1>,4|H<1>}	114.7140	0.000	1	114.7140	0.000	1	114.7140	0.000	1	114.7140	0.000	1	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	3:4:3:	3:3:4:	3:4:3:	C[5,5]-3:C[5]-4:N[5]-3:	C[5,5]-3:N[5]-3:B-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]B)	N[5](C[5,5]C[5,5]C[5])(N[5]C[5]Co)(BN[5]2H)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]B){1|Co<6>,1|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5])(N[5]C[5]Co)(BN[5]2H){2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){1|Co<6>,1|B<4>,4|H<1>}	109.5570	0.125	3	109.5570	0.016	3	109.5570	0.016	3	109.5570	0.016	3	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5]C[5,6a]C[6a]H)(C[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5,5]C[5,6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<3>}	111.9545	0.293	2	111.9545	0.086	2	111.9545	0.086	2	111.9545	0.086	2	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,5]	N[5]	C[5,5]	4:3:3:	3:4:4:	3:4:3:	C[5,6]-4:C[5,5]-3:N[5]-3:	C[5,5]-3:C[5]-4:S-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S)	N[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]C[5,6]N[5])(C[5]C[5]HH)(C[5]O[5]O)	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S){1|O<1>,2|C<4>,8|H<1>}	N[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]N[5])(C[5]C[5]HH)(C[5]O[5]O){1|S<4>,2|C<4>,2|H<1>}	111.8770	0.375	2	111.8770	0.140	2	111.8770	0.140	2	111.8770	0.140	2	112.8530	23.901	105	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6,6]	N[5]	C[5,6,6]	3:3:3:	3:3:4:	3:3:2:	C[5,6,6]-3:P[3x6]-3:N[5]-3:	C[5,6,6]-3:C[5]-3:C-4:	C[5,6,6]-3:P[3x6]-3:S[5]-2:	C[5,6,6](C[5,6,6]P[3x6]S[5])(P[3x6]C[5,6,6]2)(N[5]C[5]C)	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH)	C[5,6,6](C[5,6,6]P[3x6]N[5])(P[3x6]C[5,6,6]2)(S[5]C[5])	C[5,6,6](C[5,6,6]P[3x6]S[5])(P[3x6]C[5,6,6]2)(N[5]C[5]C){1|C<4>,1|H<1>,1|S<1>,1|S<2>,2|C<3>}	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH){1|C<3>,1|C<4>,1|P<3>}	C[5,6,6](C[5,6,6]P[3x6]N[5])(P[3x6]C[5,6,6]2)(S[5]C[5]){1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|C<4>}	112.9860	0.534	4	112.9860	0.285	4	112.9860	0.285	4	113.3135	0.510	6	113.3135	0.510	6	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6,6]	N[5]	C[5,6,6]	3:3:3:	3:3:4:	3:3:2:	P[3x6]-3:C[5,6,6]-3:N[5]-3:	C[5,6,6]-3:C[5]-3:C-4:	P[3x6]-3:C[5,6,6]-3:S[5]-2:	C[5,6,6](P[3x6]C[5,6,6]C[6,6])(C[5,6,6]P[3x6]S[5])(N[5]C[5]C)	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH)	C[5,6,6](P[3x6]C[5,6,6]C[6,6])(C[5,6,6]P[3x6]N[5])(S[5]C[5])	C[5,6,6](P[3x6]C[5,6,6]C[6,6])(C[5,6,6]P[3x6]S[5])(N[5]C[5]C){1|S<1>,1|S<2>,3|C<3>}	N[5](C[5,6,6]C[5,6,6]P[3x6])(C[5]S[5]S)(CCHH){1|P<3>,2|C<3>}	C[5,6,6](P[3x6]C[5,6,6]C[6,6])(C[5,6,6]P[3x6]N[5])(S[5]C[5]){1|C<4>,1|N<3>,1|S<1>,3|C<3>}	113.9685	0.640	2	113.9685	0.410	2	113.9685	0.410	2	113.3135	0.510	6	113.3135	0.510	6	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,5]	3:3:3:	5:3:3:	3:3:2:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	N[5,5]-3:C[5,6]-3:O[5]-2:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]O[5])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,5]2Cl2)(C[5,6]C[5,5]C[6])2	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(O[5]C[5,6a])	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]O[5])(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,5]2Cl2)(C[5,6]C[5,5]C[6])2{2|H<1>,2|O<2>,3|C<3>}	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(O[5]C[5,6a]){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	109.9360	0.239	2	109.9360	0.057	2	109.9360	0.057	2	109.9360	0.057	2	110.1308	0.041	6	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,5]	3:3:3:	5:3:3:	3:3:3:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	N[5,5]-3:C[5,6]-3:N[5]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,5]2Cl2)(C[5,6]C[5,5]C[6])2	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,5]2Cl2)(C[5,6]C[5,5]C[6])2{2|H<1>,2|N<3>,3|C<3>}	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	110.2283	0.106	4	110.2283	0.011	4	110.2283	0.011	4	110.2283	0.011	4	110.1308	0.041	6	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,6]	3:3:3:	5:3:3:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2Cl2)(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2Cl2)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.8455	0.790	2	111.8455	0.624	2	113.2627	1.071	8	113.5047	1.144	10	113.6054	1.504	22	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,6]	3:3:3:	5:3:3:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2ClPd)(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|Cl<1>,1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2ClPd)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|Cl<1>,1|Pd<4>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	113.8925	0.302	2	113.8925	0.091	2	113.2627	1.071	8	113.5047	1.144	10	113.6054	1.504	22	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,6]	3:3:3:	5:3:3:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2FF)(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2FF)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	113.0795	0.086	2	113.0795	0.007	2	113.2627	1.071	8	113.5047	1.144	10	113.6054	1.504	22	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,6]	3:3:3:	5:3:3:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[5,6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2II)(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,2|I<1>,5|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2II)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|I<1>,3|C<3>,3|H<1>}	114.2335	0.124	2	114.2335	0.015	2	113.2627	1.071	8	113.5047	1.144	10	113.6054	1.504	22	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,6]	3:3:3:	5:3:3:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	In[5,5]-5:C[5,6]-3:C[5,6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](In[5,5]N[5,6]2Cl2)(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	N[5,5,6](In[5,5]N[5,6]2Cl2)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|N<3>,1|P<3>,2|H<1>,3|C<3>}	114.4725	0.677	2	114.4725	0.458	2	114.4725	0.458	2	113.5047	1.144	10	113.6054	1.504	22	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2Br3)(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Br<1>,1|N<3>,2|H<1>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2Br3)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	113.7440	0.413	2	113.7440	0.171	2	113.5825	0.067	6	113.6893	1.919	12	113.6054	1.504	22	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2Cl3)(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2Cl3)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	113.6320	0.137	2	113.6320	0.019	2	113.5825	0.067	6	113.6893	1.919	12	113.6054	1.504	22	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](Ga[5,5]N[5,6]2F3)(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|F<1>,4|C<3>}	N[5,5,6](Ga[5,5]N[5,6]2F3)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|F<1>,3|H<1>}	113.3715	0.039	2	113.3715	0.002	2	113.5825	0.067	6	113.6893	1.919	12	113.6054	1.504	22	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](In[5,5]N[5,6]2Cl2Pd)(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|Pd<4>,2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	N[5,5,6](In[5,5]N[5,6]2Cl2Pd)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){1|Pd<4>,2|Cl<1>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	114.5360	0.259	2	114.5360	0.067	2	115.0657	0.429	4	113.6893	1.919	12	113.6054	1.504	22	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](In[5,5]N[5,6]2Cl3)(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	N[5,5,6](In[5,5]N[5,6]2Cl3)(C[5,6]C[5,6]C[6])2{2|H<1>,5|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	115.5955	0.310	2	115.5955	0.096	2	115.0657	0.429	4	113.6893	1.919	12	113.6054	1.504	22	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	P[3x5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]C[5,6]P[3x5])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,5,6](P[3x5]N[5,6]2C[6a]O[5]2)(C[5,6]C[5,6]C[6])2	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]P[3x5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]C[5,6]P[3x5])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	N[5,5,6](P[3x5]N[5,6]2C[6a]O[5]2)(C[5,6]C[5,6]C[6])2{2|H<1>,9|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]P[3x5]C[6])(C[6]C[6]H){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	111.2565	0.008	2	111.2565	0.000	2	111.2565	0.000	2	113.6893	1.919	12	113.6054	1.504	22	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:S[5,5]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5]N[5]H)(C[6]C[6]H)	N[5,5,6](C[5,6]C[5]C[6])2(S[5,5]N[5]2)	C[5](C[5,6]N[5,5,6]C[6])(N[5]S[5,5]C[6a])(H)	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5]N[5]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	N[5,5,6](C[5,6]C[5]C[6])2(S[5,5]N[5]2){3|C<3>,4|H<1>}	C[5](C[5,6]N[5,5,6]C[6])(N[5]S[5,5]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	112.7078	1.472	13	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:P[5,5]-3:	C[5,6]-3:N[5]-3:C[6a]-3:	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H)	N[5,5,6](C[5,6]C[5]C[6])2(P[5,5]N[5]2)	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2)	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	N[5,5,6](C[5,6]C[5]C[6])2(P[5,5]N[5]2){2|H<1>,5|C<3>}	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	110.8610	0.281	2	110.8610	0.079	2	110.8610	0.079	2	110.8610	0.079	2	112.7078	1.472	13	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5]	3:3:3:	6:3:3:	3:2:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	Ga[5x5]-6:C[5,6]-3:C[5,6]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H)	N[5,5,6](Ga[5x5]N[5,5,6]N[5,5]2O[5]2)(C[5,6]C[5]C[6])2	C[5](C[5,6]N[5,5,6]C[6])(O[5]Ga[5x5])(O)	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|N<3>}	N[5,5,6](Ga[5x5]N[5,5,6]N[5,5]2O[5]2)(C[5,6]C[5]C[6])2{1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]N[5,5,6]C[6])(O[5]Ga[5x5])(O){1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|N<3>}	112.1250	0.298	2	112.1250	0.089	2	112.1250	0.089	2	112.1250	0.089	2	112.7078	1.472	13	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5]	3:3:3:	7:3:3:	3:2:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	In[3x5]-7:C[5,6]-3:C[5,6]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,5,6]In[3x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H)	N[5,5,6](In[3x5]N[5,6]O[5]3OO)(C[5,6]C[5]C[6])2	C[5](C[5,6]N[5,5,6]C[6])(O[5]In[3x5])(O)	C[5,6](N[5,5,6]In[3x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,2|O<2>,2|O<3>}	N[5,5,6](In[3x5]N[5,6]O[5]3OO)(C[5,6]C[5]C[6])2{2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]N[5,5,6]C[6])(O[5]In[3x5])(O){1|H<1>,1|N<3>,2|C<3>,2|O<2>,2|O<3>}	113.8615	0.545	2	113.8615	0.297	2	113.8615	0.297	2	113.5093	0.350	8	112.7078	1.472	13	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5,6]	C[5]	3:3:3:	7:3:3:	3:2:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	In[4,5,5]-7:C[5,6]-3:C[5,6]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,5,6]In[4,5,5]C[5,6])(C[5]O[5]O)(C[6]C[6]H)	N[5,5,6](In[4,5,5]O[4]2O[5]2OO)(C[5,6]C[5]C[6])2	C[5](C[5,6]N[5,5,6]C[6])(O[5]In[4,5,5])(O)	C[5,6](N[5,5,6]In[4,5,5]C[5,6])(C[5]O[5]O)(C[6]C[6]H){1|H<1>,2|C<3>,2|O<3>,3|O<2>}	N[5,5,6](In[4,5,5]O[4]2O[5]2OO)(C[5,6]C[5]C[6])2{2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6]N[5,5,6]C[6])(O[5]In[4,5,5])(O){1|H<1>,2|C<3>,2|O<3>,3|O<2>}	113.3918	0.603	6	113.3918	0.364	6	113.3918	0.364	6	113.5093	0.350	8	112.7078	1.472	13	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5]	C[5,6]	3:3:2:	3:3:7:	3:4:3:	N[5,5]-3:C[5,6]-3:C[6]-2:	C[5,6a]-3:C[5,6]-3:Nb[5,5]-7:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6](N[5,5]C[5,6a]Nb[5,5])(C[5,6]C[6]P[5])(C[6]C[6])	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(Nb[5,5]P[5]2Cl4)	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H)	C[5,6](N[5,5]C[5,6a]Nb[5,5])(C[5,6]C[6]P[5])(C[6]C[6]){4|Cl<1>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(Nb[5,5]P[5]2Cl4){1|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H){4|Cl<1>,1|P<4>,3|C<3>}	118.3920	0.000	1	118.3920	0.000	1	118.3920	0.000	1	118.3920	0.000	1	114.6739	5.316	9	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5]	C[5,6]	3:3:3:	3:3:6:	3:4:3:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:Nb[5,5]-6:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6](N[5,5]Nb[5,5]C[5,6])(C[5,6]C[6]P[5])(C[6]C[6]H)	N[5,5](C[5,6]C[5,6]C[6])2(Nb[5,5]P[5]2Cl3)	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H)	C[5,6](N[5,5]Nb[5,5]C[5,6])(C[5,6]C[6]P[5])(C[6]C[6]H){3|Cl<1>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,6]C[5,6]C[6])2(Nb[5,5]P[5]2Cl3){2|H<1>,4|C<3>,4|C<4>}	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H){3|Cl<1>,1|H<1>,1|P<4>,3|C<3>}	118.8770	0.000	1	118.8770	0.000	1	118.8770	0.000	1	118.8770	0.000	1	114.6739	5.316	9	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5]	C[5,6]	3:3:3:	4:3:4:	3:4:3:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH)	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	112.9450	0.000	1	112.9450	0.000	1	112.9450	0.000	1	112.9450	0.000	1	114.6739	5.316	9	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5]	C[5,6]	3:3:4:	3:3:2:	3:3:4:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:N[5,5]-3:P[5]-2:	C[5,6]-3:P[5]-3:C[6]-4:	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6])	C[5,6](C[5,6]N[5,5]C[6])(P[5]N[5,5]Sn)(C[6]C[6]HH)	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]){1|Sn<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]N[5,5]C[6])(P[5]N[5,5]Sn)(C[6]C[6]HH){1|C<3>,1|C<4>,1|P<2>,4|H<1>}	113.9490	0.000	1	113.9490	0.000	1	113.9490	0.000	1	113.9490	0.000	1	114.6739	5.316	9	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5]	C[5,6]	3:3:4:	3:3:2:	3:4:2:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:N[5,5]-3:P[5]-2:	C[5,6]-3:C[6]-4:P[5]-2:	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6])	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]){2|H<1>,4|C<4>}	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<2>,4|H<1>}	113.6775	0.671	4	113.6775	0.451	4	113.6775	0.451	4	113.6775	0.451	4	114.6739	5.316	9	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,5]	C[5,6]	3:3:4:	3:3:3:	3:4:2:	N[5,5]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:N[5,5]-3:P[5]-3:	C[5,6]-3:C[6]-4:P[5]-2:	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH)	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]Sn)	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5])	C[5,6](N[5,5]N[5,5]P[5])(C[5,6]C[6]P[5])(C[6]C[6]HH){1|Sn<3>,1|C<4>,2|C<3>,4|H<1>}	N[5,5](C[5,6]C[5,6]C[6])(N[5,5]C[5,6]P[5])(P[5]C[5,6]Sn){2|H<1>,4|C<4>}	C[5,6](C[5,6]N[5,5]C[6])(C[6]C[6]HH)(P[5]N[5,5]){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	113.1920	0.000	1	113.1920	0.000	1	113.1920	0.000	1	113.1920	0.000	1	114.6739	5.316	9	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,5]-3:N[5,6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5,5]-3:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]O)(C[6]C[6]H)	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(N[5,6]C[5]C[6]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]O)(C[6]C[6]H){1|C<4>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	107.2750	0.000	1	107.2750	0.000	1	107.2750	0.000	1	107.2750	0.000	1	111.6290	8.098	6	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[4,6]-3:C[5,5]-3:N[5,6]-3:	C[5,6]-3:Si[5]-4:C[6]-3:	C[5,6]-3:N[5,5]-3:C[5]-4:	C[5,6](C[4,6]C[4,6]Si[4])(C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])	N[5,6](C[5,6]C[4,6]C[5,5])(Si[5]N[5,5]CC)(C[6]C[6]H)	C[5,5](C[5,6]C[4,6]N[5,6])(N[5,5]C[5,5]Si[5])(C[5]C[5,5]HH)	C[5,6](C[4,6]C[4,6]Si[4])(C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6]){1|Si<4>,1|C<3>,3|H<1>,6|C<4>}	N[5,6](C[5,6]C[4,6]C[5,5])(Si[5]N[5,5]CC)(C[6]C[6]H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5,6]C[4,6]N[5,6])(N[5,5]C[5,5]Si[5])(C[5]C[5,5]HH){1|Si<4>,2|C<3>,2|H<1>,4|C<4>}	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	111.6290	8.098	6	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,5]	3:3:3:	4:3:3:	3:3:4:	C[5,5]-3:N[5,6]-3:C[6]-3:	Si[5]-4:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](Si[5]N[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,5](N[5,5]C[5,5]Si[5])(C[5,6]N[5,6]C[6])(C[5]C[5,5]HH)	C[5,6](C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](Si[5]N[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]Si[5])(C[5,6]N[5,6]C[6])(C[5]C[5,5]HH){2|C<4>,3|H<1>,4|C<3>}	111.7237	1.919	3	111.7237	3.681	3	111.7237	3.681	3	111.7237	3.681	3	111.6290	8.098	6	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,5]	3:3:3:	6:3:3:	3:3:3:	C[5,5]-3:N[5,6]-3:C[6]-3:	In[5,6]-6:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,5]N[5,5,6]C[5])(N[5,6]In[5,6]C[6])(C[6]C[6]H)	N[5,6](In[5,6]N[5,5,6]N[5,6]Cl2O)(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,5](N[5,5,6]In[5,6]N[5,6])(C[5,6]N[5,6]C[6])(C[5]C[5]H)	C[5,6](C[5,5]N[5,5,6]C[5])(N[5,6]In[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	N[5,6](In[5,6]N[5,5,6]N[5,6]Cl2O)(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C[5,5](N[5,5,6]In[5,6]N[5,6])(C[5,6]N[5,6]C[6])(C[5]C[5]H){1|In<6>,2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	111.6290	8.098	6	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:2:	3:4:4:	3:3:2:	C[5,6]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:P[5]-4:C[6]-4:	C[5,6]-3:N[5,6]-3:N[6]-2:	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6])	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]CoN)(C[6]C[6]HH)	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6])	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6]){1|Co<7>,1|N<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]CoN)(C[6]C[6]HH){1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6]){1|Co<7>,1|N<3>,3|C<4>,4|H<1>}	108.8395	0.496	2	108.8395	0.246	2	108.8395	0.246	2	108.8395	0.246	2	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:2:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Ge[5]-2:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ge[5]N[5,6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H){3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Ge[5]N[5,6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H){3|C<3>,3|H<1>}	114.4440	0.243	2	114.4440	0.059	2	114.4440	0.059	2	114.4440	0.059	2	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.6020	0.000	1	110.7545	0.047	2	110.7545	0.047	2	110.7545	0.047	2	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.9070	0.000	1	110.7545	0.047	2	110.7545	0.047	2	110.7545	0.047	2	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH)	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	106.3440	0.888	2	106.3440	0.789	2	106.3440	0.789	2	108.5000	6.499	4	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:N[5,6]-3:N[6]-3:	C[5,6]-3:P[5]-3:C[6]-4:	C[5,6]-3:N[5,6]-3:N[6]-3:	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6]Sb)	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]N)(C[6]C[6]HH)	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6]Sb)	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6]Sb){1|N<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]N)(C[6]C[6]HH){1|Sb<5>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6]Sb){1|N<3>,3|C<4>,4|H<1>}	110.6560	0.341	2	110.6560	0.116	2	110.6560	0.116	2	108.5000	6.499	4	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:2:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5,6]-3:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[6]S[5])(C[6]C[6,6a]O)	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	C[5,6](C[5,6]N[5,6]C[6])(C[6]C[6,6a]O)(S[5]C[5,6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[6]S[5])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|O<1>,6|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(C[6]C[6,6a]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	113.2440	0.000	1	113.2440	0.000	1	113.2440	0.000	1	113.2440	0.000	1	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[6,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]N[5,6]Rh)	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Rh<6>,2|C<4>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]N[5,6]Rh){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Rh<6>,2|C<4>,2|H<1>,5|C<3>}	105.8665	0.271	4	105.8665	0.073	4	105.8665	0.073	4	112.3561	21.460	13	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]Cl2)(C[6]C[6]P)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Cl<1>,1|P<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]Cl2)(C[6]C[6]P){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Cl<1>,2|H<1>,4|C<3>}	115.2365	1.026	2	115.2365	1.053	2	115.1413	0.372	6	112.3561	21.460	13	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]Cl2)(C[6]C[6a]C[6])	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Cl<1>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]Cl2)(C[6]C[6a]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Cl<1>,1|P<3>,2|H<1>,3|C<3>}	115.1515	0.848	2	115.1515	0.719	2	115.1413	0.372	6	112.3561	21.460	13	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]Fe2)(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Fe<8>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]Fe2)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Fe<8>,3|C<3>,3|H<1>}	115.0360	0.214	2	115.0360	0.046	2	115.1413	0.372	6	112.3561	21.460	13	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Ge[5]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ge[5]N[5,6]CC)(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Ge[5]N[5,6]CC)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	114.1040	1.119	2	114.1040	1.251	2	114.1040	1.251	2	112.3561	21.460	13	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:N[5,6]-3:N[5]-3:	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Cu)	N[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Cu)	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Cu){1|Cu<3>,1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|Cu<3>,2|N<3>,3|H<1>}	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Cu){1|Cu<3>,1|C<4>,2|C<3>,4|H<1>}	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	112.3561	21.460	13	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:4:4:	3:3:3:	C[5,6]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:N[5,6]-3:N[5]-3:	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Fe)	N[5,6](C[5,6]C[5,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Fe)	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Fe){3|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|Fe<6>,2|N<3>,4|H<1>}	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Fe){3|C<4>,6|H<1>}	119.6310	0.000	1	119.6310	0.000	1	119.6310	0.000	1	119.6310	0.000	1	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:5:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Si[5]-5:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CCO)(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CCO)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	112.6675	1.742	2	112.6675	3.033	2	112.9083	1.290	4	112.9083	1.290	4	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:5:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Si[5]-5:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]Cl3)(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){3|Cl<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]Cl3)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){3|Cl<1>,3|C<3>,3|H<1>}	113.1490	0.778	2	113.1490	0.605	2	112.9083	1.290	4	112.9083	1.290	4	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:6:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Ga[5]-6:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]F3O)(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){1|O<3>,3|C<3>,3|F<1>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Ga[5]N[5,6]F3O)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){1|O<3>,3|C<3>,3|F<1>,3|H<1>}	114.8825	0.442	2	114.8825	0.195	2	114.8825	0.195	2	115.7835	1.089	26	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:6:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:In[5]-6:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.0585	0.230	4	116.4209	0.140	14	116.4209	0.140	14	115.7835	1.089	26	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:6:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:In[5]-6:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<3>,2|H<1>,3|C<3>}	116.3300	0.277	4	116.4209	0.140	14	116.4209	0.140	14	115.7835	1.089	26	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:6:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:In[5]-6:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	116.6555	0.135	4	116.4209	0.140	14	116.4209	0.140	14	115.7835	1.089	26	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:6:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:In[5]-6:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|O<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(In[5]N[5,6]Cl3O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|O<3>,3|C<3>,3|H<1>}	116.8585	0.467	2	116.4209	0.140	14	116.4209	0.140	14	115.7835	1.089	26	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:6:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Nb[5]-6:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Nb[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Nb[5]N[5,6]N3O)(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Nb[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Nb[5]C[6])(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>,3|N<2>}	N[5,6](C[5,6]C[5,6]C[6])(Nb[5]N[5,6]N3O)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Nb[5]C[6])(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>,3|N<2>}	115.4525	0.313	2	115.4525	0.098	2	115.4525	0.098	2	115.7835	1.089	26	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:6:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:Si[5]-6:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CF3)(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){1|C<2>,3|C<3>,3|F<1>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CF3)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){1|C<2>,3|C<3>,3|F<1>,3|H<1>}	113.0910	0.264	2	113.0910	0.070	2	113.0910	0.070	2	115.7835	1.089	26	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:6:3:	3:3:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:Ga[3x5]-6:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Ga[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Ga[3x5]N[5,6]5)(C[6]C[6]H)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|C<3>,3|H<1>,4|N<3>}	N[5,6](C[5,6]C[5,6]C[6])(Ga[3x5]N[5,6]5)(C[6]C[6]H){11|C<3>,2|H<1>}	C[5,6](N[5,6]Ga[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|C<3>,3|H<1>,4|N<3>}	115.6042	0.751	6	115.6042	0.564	6	115.6042	0.564	6	115.7835	1.089	26	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	5:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	114.3695	0.347	2	114.3695	0.121	2	113.6585	0.846	8	114.1963	1.962	10	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	5:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]ClPd)(C[5,6]C[5,6]C[6])(C[6]C[6]P)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|Cl<1>,1|Pd<4>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]ClPd)(C[5,6]C[5,6]C[6])(C[6]C[6]P){2|H<1>,5|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|Cl<1>,1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	112.8875	0.753	2	112.8875	0.567	2	113.6585	0.846	8	114.1963	1.962	10	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	5:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]FF)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]FF)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	114.3845	0.600	2	114.3845	0.360	2	113.6585	0.846	8	114.1963	1.962	10	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	5:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]II)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|I<1>,3|C<3>,3|H<1>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]II)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,2|I<1>,5|C<3>}	112.9925	0.855	2	112.9925	0.731	2	113.6585	0.846	8	114.1963	1.962	10	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	5:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	In[5,5]-5:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	N[5,6](In[5,5]N[5,5,6]N[5,6]Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]P)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|N<3>,1|P<3>,2|H<1>,3|C<3>}	N[5,6](In[5,5]N[5,5,6]N[5,6]Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]P){2|H<1>,5|C<3>}	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	116.3475	0.408	2	116.3475	0.166	2	116.3475	0.166	2	114.1963	1.962	10	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-6:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Br3)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Br3)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Br<1>,1|N<3>,2|H<1>,4|C<3>}	114.5730	0.195	2	114.5730	0.038	2	114.6152	0.093	6	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-6:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Cl3)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]Cl3)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	114.5585	0.428	2	114.5585	0.183	2	114.6152	0.093	6	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	Ga[5,5]-6:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5,6]N[5,6]F3)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|F<1>,3|H<1>}	N[5,6](Ga[5,5]N[5,5,6]N[5,6]F3)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|F<1>,4|C<3>}	114.7140	0.464	2	114.7140	0.215	2	114.6152	0.093	6	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	N[5,6](In[5,5]N[5,5,6]N[5,6]Cl2Pd)(C[5,6]C[5,6]C[6])(C[6]C[6]P)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){1|Pd<4>,2|Cl<1>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	N[5,6](In[5,5]N[5,5,6]N[5,6]Cl2Pd)(C[5,6]C[5,6]C[6])(C[6]C[6]P){2|H<1>,5|C<3>}	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|Pd<4>,2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	114.3990	0.252	2	114.3990	0.063	2	115.2480	0.982	4	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	N[5,6](In[5,5]N[5,5,6]N[5,6]Cl3)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](In[5,5]N[5,5,6]N[5,6]Cl3)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	116.0970	0.004	2	116.0970	0.000	2	115.2480	0.982	4	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	P[3x5]-6:C[5,6]-3:C[6]-3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]P[3x5]C[6])(C[6]C[6]H)	N[5,6](P[3x5]N[5,5,6]N[5,6]C[6a]O[5]2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]C[5,6]P[3x5])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]P[3x5]C[6])(C[6]C[6]H){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	N[5,6](P[3x5]N[5,5,6]N[5,6]C[6a]O[5]2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,9|C<3>}	C[5,6](N[5,5,6]C[5,6]P[3x5])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	112.0395	0.228	2	112.0395	0.052	2	112.0395	0.052	2	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	Si[5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](Si[5]N[5,6]Cl2HH)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|Cl<1>,3|C<3>,5|H<1>}	N[5,6](Si[5]N[5,6]Cl2HH)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|Cl<1>,3|C<3>,5|H<1>}	112.4295	0.238	2	112.4295	0.057	2	112.9043	0.161	6	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	Si[5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>,4|N<2>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	113.2030	0.148	2	113.1418	0.023	4	112.9043	0.161	6	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	Si[5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|N<2>,4|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	113.0805	0.182	2	113.1418	0.023	4	112.9043	0.161	6	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	Ga[4,5,5]-6:C[5,6]-3:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Ga[4,5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,6](Ga[4,5,5]N[5,6]3O[4]2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Ga[4,5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Ga[4,5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|N<3>,2|O<2>,3|C<3>,3|H<1>}	N[5,6](Ga[4,5,5]N[5,6]3O[4]2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|Ga<6>,2|H<1>,7|C<3>}	C[5,6](N[5,6]Ga[4,5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|N<3>,2|O<2>,3|C<3>,3|H<1>}	114.9759	0.983	16	114.9759	0.965	16	114.9759	0.965	16	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	Ga[5,5,6]-6:C[5,6]-3:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Ga[5,5,6]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,6](Ga[5,5,6]N[5,6]3O[6]2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Ga[5,5,6]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Ga[5,5,6]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|N<3>,2|O<2>,3|C<3>,3|H<1>}	N[5,6](Ga[5,5,6]N[5,6]3O[6]2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,9|C<3>}	C[5,6](N[5,6]Ga[5,5,6]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|N<3>,2|O<2>,3|C<3>,3|H<1>}	115.0255	0.300	4	115.0255	0.090	4	115.0255	0.090	4	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	In[3x5]-6:C[5,6]-3:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]In[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,6](In[3x5]N[5,6]O[5]4)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]In[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]In[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|C<3>,3|H<1>,4|O<2>}	N[5,6](In[3x5]N[5,6]O[5]4)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[5,6](N[5,6]In[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|C<3>,3|H<1>,4|O<2>}	115.2435	0.120	2	115.2435	0.014	2	115.2435	0.014	2	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	Si[5,5]-6:C[5,6]-3:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Si[5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,2|N<3>,3|C<3>,3|H<1>}	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[5,6](N[5,6]Si[5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,2|N<3>,3|C<3>,3|H<1>}	113.7403	0.322	4	113.7403	0.103	4	113.7403	0.103	4	114.4398	1.326	44	114.0816	6.870	109	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:2:	3:3:2:	3:3:2:	N[5,6]-3:C[5]-3:C[6]-2:	C[5,6]-3:C[5]-3:C[6]-2:	C[5,6]-3:C[6]-3:C[5]-2:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C[6])(C[6]C[6])	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]2)(C[5]C[5])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C[6])(C[6]C[6]){2|C<2>,2|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]2)(C[5]C[5]){1|C<3>,1|N<3>,4|C<2>}	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:2:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:N[6]-2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]H)(N[6]C[6])	N[5,6](C[5,6]C[5]N[6])(N[5]C[5]Pd)(C[6]C[6]2)	C[5](C[5,6]N[5,6]N[6])(C[5]N[5]C)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]H)(N[6]C[6]){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[5,6]C[5]N[6])(N[5]C[5]Pd)(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]N[5]C)(H){1|Pd<4>,2|C<3>}	106.6270	0.000	1	106.6270	0.000	1	106.6270	0.000	1	106.6270	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:2:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:N[5]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(O[6]C[6])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6])(C[5]N[5]S)	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(O[6]C[6]){1|S<1>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6])(C[5]N[5]S){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:2:	3:3:4:	3:3:1:	N[5,6]-3:C[5]-3:N[6]-2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(N[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(N[6]C[6,6a]){1|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|C<4>,1|H<1>,3|C<3>}	107.9300	0.383	2	107.9300	0.147	2	107.9300	0.147	2	107.9300	0.147	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:P[5]-2:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(P[5]N[5])	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){1|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(P[5]N[5]){2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	111.0470	0.351	2	111.0470	0.123	2	110.7433	0.338	3	110.7433	0.338	3	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:P[5]-2:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5])	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5]){2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	110.1360	0.000	1	110.1360	0.000	1	110.7433	0.338	3	110.7433	0.338	3	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:2:	3:3:2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[6a]-3:N[5]-2:	C[5,6](N[5,6]Se[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(Se[5]N[5])	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(N[5]Se[5])	C[5,6](N[5,6]Se[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(Se[5]N[5]){2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(N[5]Se[5]){3|H<1>,4|C<3>}	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:2:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5])	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Co)	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5]){1|Co<6>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Co){2|H<1>,4|C<3>}	103.3690	0.000	1	103.3690	0.000	1	103.2555	0.293	4	103.2555	0.293	4	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:2:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5])	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Fe)	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5]){1|Fe<6>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Fe){2|H<1>,4|C<3>}	103.2177	0.656	3	103.2177	0.431	3	103.2555	0.293	4	103.2555	0.293	4	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:2:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[6]N[5])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]2)(N[5]N[5])	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]Zn)(CH3)	C[5,6](N[5,6]C[6]N[5])(C[5]N[5]C)(C[6]C[6]H){1|Zn<4>,1|H<1>,2|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]2)(N[5]N[5]){1|Zn<4>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]Zn)(CH3){1|H<1>,2|C<3>}	104.0750	0.000	1	104.0750	0.000	1	104.0750	0.000	1	104.0750	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]C[5]O)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[5]C[5]N)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]C[5]O){1|N<1>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[5]C[5]N){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O){1|N<1>,3|C<3>}	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	106.5393	6.245	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|Ru<6>,1|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(O){2|C<3>,2|H<1>}	105.7655	0.504	2	105.7655	0.254	2	105.9240	0.202	3	106.5393	6.245	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Ru<6>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(O){1|H<1>,3|C<3>}	106.2410	0.000	1	106.2410	0.000	1	105.9240	0.202	3	106.5393	6.245	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:P[5]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5]N)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(P[5]N[5]N){2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H){1|H<1>,1|N<3>,4|C<3>}	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	106.5393	6.245	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H){2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(O){2|H<1>,4|C<3>}	107.7260	0.342	2	107.7260	0.117	2	107.7260	0.117	2	106.5393	6.245	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]N[5]Ir)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	N[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]N[5]Ir){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>}	102.2270	0.000	1	102.2270	0.000	1	102.1250	0.021	2	106.5393	6.245	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5a,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]N[5]Rh)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	N[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]N[5]Rh){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	102.0230	0.000	1	102.0230	0.000	1	102.1250	0.021	2	106.5393	6.245	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[6,6a]N[5])(C[6]C[6a]C[6])(C[5]C[5]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]Rh)	C[5](C[5,6]N[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](N[5,6]C[6,6a]N[5])(C[6]C[6a]C[6])(C[5]C[5]H){1|Rh<8>,1|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]Rh){2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]N[5]H)(H){1|Rh<8>,3|C<3>}	104.6750	0.000	1	104.6750	0.000	1	104.6750	0.000	1	106.5393	6.245	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:N[6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a]Pt)(C[5]C[5,6a]O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a]Pt)(C[5]C[5,6a]O){1|O<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]O){1|Pt<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|Pt<4>,1|H<1>,4|C<3>}	107.9237	0.675	3	107.9237	0.456	3	107.9237	0.456	3	106.5393	6.245	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:Se-2:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]Se)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(SeC[6a])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]Se)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|Se<2>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(SeC[6a]){1|H<1>,3|C<3>}	110.8745	0.241	2	110.8745	0.058	2	110.8745	0.058	2	110.8193	0.038	3	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:Se-2:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]Se)(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(SeC[6a])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]Se)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(SeC[6a]){1|H<1>,3|C<3>}	110.7090	0.000	1	110.7090	0.000	1	110.7090	0.000	1	110.8193	0.038	3	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:B[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(B[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[5]C[6a]C[5])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	109.5710	0.000	1	109.5710	0.000	1	109.5710	0.000	1	105.5048	1.741	12	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Co<6>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co){2|H<1>,5|C<3>}	105.4260	0.024	2	105.4260	0.001	2	105.1227	0.121	10	105.5048	1.741	12	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cu)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Cu<5>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cu){2|H<1>,5|C<3>}	105.3520	0.054	2	105.3520	0.003	2	105.1227	0.121	10	105.5048	1.741	12	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Fe<6>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe){2|H<1>,5|C<3>}	105.2580	0.000	1	105.2580	0.000	1	105.1227	0.121	10	105.5048	1.741	12	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Pt<4>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt){2|H<1>,5|C<3>}	104.9950	0.000	1	104.9950	0.000	1	105.1227	0.121	10	105.5048	1.741	12	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Re)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Re<6>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Re){2|H<1>,5|C<3>}	104.4860	0.000	1	104.4860	0.000	1	105.1227	0.121	10	105.5048	1.741	12	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Ru)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Ru<9>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Ru<9>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Ru){2|H<1>,5|C<3>}	105.1510	0.339	2	105.1510	0.115	2	105.1227	0.121	10	105.5048	1.741	12	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt){1|C<4>,2|H<1>,4|C<3>}	104.6300	0.000	1	104.6300	0.000	1	105.1227	0.121	10	105.5048	1.741	12	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5]-3:C-3:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)(CC[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)(CC[6]O){1|H<1>,3|C<3>}	105.2590	0.000	1	105.2590	0.000	1	105.2590	0.000	1	105.5048	1.741	12	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Cd<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH){1|H<1>,3|C<3>}	105.7340	0.888	2	105.7340	0.789	2	105.7785	0.236	13	105.7785	0.236	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Cd<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]HH){1|H<1>,3|C<3>}	106.0280	0.000	1	106.0280	0.000	1	105.7785	0.236	13	105.7785	0.236	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[5]3)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Co<6>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[5]3){1|H<1>,3|C<3>}	105.7000	0.137	2	105.7000	0.019	2	105.7785	0.236	13	105.7785	0.236	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[6]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Co<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[6]CH){1|H<1>,3|C<3>}	105.1910	0.000	1	105.1910	0.000	1	105.7785	0.236	13	105.7785	0.236	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)(CC[6]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)(CC[6]CH){1|H<1>,3|C<3>}	105.4500	0.000	1	105.4500	0.000	1	105.7785	0.236	13	105.7785	0.236	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[5a]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<4>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Zn<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[5a]HH){1|H<1>,3|C<3>}	106.0600	0.000	1	106.0600	0.000	1	105.7785	0.236	13	105.7785	0.236	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Zn<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]CH){1|H<1>,3|C<3>}	106.0805	0.445	2	106.0805	0.198	2	105.7785	0.236	13	105.7785	0.236	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Zn<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]HH){1|H<1>,3|C<3>}	106.4820	0.000	1	106.4820	0.000	1	105.7785	0.236	13	105.7785	0.236	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cu)(CC[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cu<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){1|Cu<3>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cu)(CC[5]CH){1|H<1>,3|C<3>}	105.4405	0.556	2	105.4405	0.310	2	105.7785	0.236	13	105.7785	0.236	13	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:4:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C-4:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<5>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe){1|H<1>,3|C<3>}	105.6200	0.000	1	106.1243	0.628	3	106.1243	0.628	3	107.5602	8.666	4	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:4:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C-4:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe){1|H<1>,3|C<3>}	106.3765	0.936	2	106.1243	0.628	3	106.1243	0.628	3	107.5602	8.666	4	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:4:3:	N[5,6]-3:N[6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]C[5]C)	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]C)(C[6]C[6]O)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CC)(COO)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]C[5]C){1|C<4>,2|O<1>,5|C<3>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]C)(C[6]C[6]O){2|C<4>,5|C<3>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CC)(COO){4|C<3>}	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	107.5602	8.666	4	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:4:4:	N[5,6]-3:N[6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:P[5]-4:C-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]P[5]C)	N[5,6](C[5,6]C[5]N[6])(C[5]P[5]C)(C[6]C[6]O)	C[5](C[5,6]N[5,6]N[6])(P[5]C[5]AuC)(CC3)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]P[5]C){1|Au<2>,1|C<4>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5]N[6])(C[5]P[5]C)(C[6]C[6]O){1|Au<2>,3|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]N[6])(P[5]C[5]AuC)(CC3){4|C<3>}	116.8850	0.000	1	116.8850	0.000	1	116.8850	0.000	1	116.8850	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6]-3:N[5,6a]-3:H-1:	C[5,6](C[5a,6]N[5a,6a]C[5a,6])(N[5,6]C[5,6a]B[6])(C[5]N[5,6a]H)	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF)	C[5](C[5,6]C[5a,6]N[5,6])(N[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5a,6]N[5a,6a]C[5a,6])(N[5,6]C[5,6a]B[6])(C[5]N[5,6a]H){1|N<2>,1|O<2>,2|F<1>,4|C<3>}	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5a,6]N[5,6])(N[5,6a]C[5,6a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	109.2055	0.723	2	109.2055	0.523	2	109.2055	0.523	2	109.2055	0.523	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:N[5,6a]-3:N-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]N[5,6a]N)	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[6,6a]N[5,6])(N[5,6a]C[5,6a]C[6a])(NC)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]N[5,6a]N){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(N[5,6a]C[5,6a]C[6a])(NC){1|C<4>,1|H<1>,4|C<3>}	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:N[5]-3:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH)	C[5](C[5,6]C[6,6a]N[5,6])(N[5]C[5]H)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(N[5]C[5]H)(CCHH){1|C<4>,3|C<3>}	106.3050	0.000	1	106.3050	0.000	1	106.3050	0.000	1	106.3050	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6]C[5]C[6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6]C[5]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:4:	3:4:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]C)(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(COO)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]C)(C[6]C[6]H){3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH){4|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:3:4:	3:4:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:S-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]S)(C[6]N[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(SC[6a]OO)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]S)(C[6]N[6]H){3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH){1|N<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(SC[6a]OO){1|N<2>,2|C<3>,2|H<1>}	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,6]Ga[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(Ga[5]O[5]OO)(C[6]C[6]C)	C[5](C[5,6]N[5,6]C[6])(O[5]Ga[5])(O)	C[5,6](N[5,6]Ga[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[5,6](C[5,6]C[5]C[6])(Ga[5]O[5]OO)(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(O[5]Ga[5])(O){1|H<1>,2|C<3>,2|O<2>}	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:2:4:	C[6]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5]-2:C-4:	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]C)	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5])(CH3)	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C){1|C<4>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5])(CH3){1|B<4>,1|C<4>,2|C<3>}	107.4825	0.977	2	107.4825	0.954	2	107.4825	0.954	2	107.4825	0.954	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[5a,6]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]H)	N[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,6]C[5a,6]N[5,6])(C[5]C[5]C)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5a,6]N[5,6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	109.6940	0.505	2	109.6940	0.255	2	109.6940	0.255	2	108.3983	3.809	4	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]H)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]N[5]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]H){4|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H){2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	105.6100	0.000	1	105.6100	0.000	1	105.6100	0.000	1	108.3983	3.809	4	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[6]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]O)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(H)	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(H){1|B<4>,1|O<1>,2|C<3>}	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	108.3983	3.809	4	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:3:2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5,6](N[5,6]C[6]P[5])(C[5]C[6a]O[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(P[5]O[5]CW)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(O[5]P[5])	C[5,6](N[5,6]C[6]P[5])(C[5]C[6a]O[5])(C[6]C[6]H){1|C<4>,1|N<2>,1|W<6>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(P[5]O[5]CW)(C[6]C[6]H){2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(O[5]P[5]){1|C<4>,1|W<6>,2|H<1>,4|C<3>}	111.4235	0.457	2	111.4235	0.209	2	111.4235	0.209	2	111.4235	0.209	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[6a]-3:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]B[6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]H)	N[5,6](C[5,6]C[5]C[6])(B[6]N[6,6]FF)(C[5]C[5]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5]C[6a]C[5])	C[5,6](N[5,6]B[6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]H){1|N<3>,1|O<1>,2|F<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[6,6]FF)(C[5]C[5]O){1|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]){1|B<4>,1|O<1>,2|H<1>,6|C<3>}	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:In[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(In[5]N[5]ClS)(C[6]C[6]C)	C[5](C[5,6]N[5,6]C[6])(N[5]In[5]N)(CH3)	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5,6](C[5,6]C[5]C[6])(In[5]N[5]ClS)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]In[5]N)(CH3){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]OsC)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Os2)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H){1|Os<5>,1|Os<6>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]OsC)(C[6]C[6]H){1|Os<5>,1|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Os2)(H){1|C<4>,1|H<1>,2|C<3>}	107.7590	0.000	1	107.7590	0.000	1	107.7590	0.000	1	114.9385	103.090	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6]-3:P[5]-4:H-1:	C[5,6](N[5,6]Ga[5]C[6])(C[5]P[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(Ga[5]P[5]Cl2)(C[6]C[6]C)	C[5](C[5,6]N[5,6]C[6])(P[5]Ga[5]CC)(H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]P[5]H)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6])(Ga[5]P[5]Cl2)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(P[5]Ga[5]CC)(H){2|Cl<1>,1|H<1>,2|C<3>}	122.1180	0.000	1	122.1180	0.000	1	122.1180	0.000	1	114.9385	103.090	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:4:2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-2:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CRu)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CRu){2|C<3>,3|H<1>}	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	109.2340	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH)(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C){4|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]CH)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH)(COO){1|H<1>,4|C<3>}	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	110.0895	1.356	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:4:3:	N[5,6]-3:C[5]-3:N[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(N[6]C[6]H)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CH)(CC[6a]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(N[6]C[6]H){1|O<1>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CH)(CC[6a]O){1|H<1>,1|O<1>,2|C<4>}	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	110.0895	1.356	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:4:	3:4:1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:S[6]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(S[6]O[6]OO)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(S[6]O[6]OO){2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]CH)(H){1|H<1>,1|S<4>,3|C<3>}	110.6370	0.000	1	110.6370	0.000	1	110.6370	0.000	1	110.6370	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:5:3:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:In[5]-5:C[5,6]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,6]C[6,6a]In[5])(C[5]O[5]O)(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(In[5]N[5]O[5]Cl2)(C[5,6]C[5]C[6])	C[5](C[5,6]N[5,6]C[6])(O[5]In[5])(O)	C[5,6](N[5,6]C[6,6a]In[5])(C[5]O[5]O)(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(In[5]N[5]O[5]Cl2)(C[5,6]C[5]C[6]){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6])(O[5]In[5])(O){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	115.9035	0.677	2	115.9035	0.458	2	115.9035	0.458	2	115.9035	0.458	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	3:6:3:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:In[5]-6:C[6]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,6]In[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6])(In[5]O[5]Cl3O)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(O[5]In[5])(O)	C[5,6](N[5,6]In[5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|Cl<1>,1|C<3>,1|O<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(In[5]O[5]Cl3O)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(O[5]In[5])(O){3|Cl<1>,1|H<1>,1|O<3>,2|C<3>}	116.6610	0.000	1	116.6610	0.000	1	116.6610	0.000	1	116.6610	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	B[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]C[5])(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<3>,5|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]C[5])(H){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	111.1750	0.174	2	111.1750	0.030	2	110.7540	0.547	3	110.2761	8.095	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	B[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]Si)(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]H){1|Si<4>,1|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]Si)(H){1|H<1>,2|C<3>,2|C<4>}	109.9120	0.000	1	109.9120	0.000	1	110.7540	0.547	3	110.2761	8.095	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	B[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5]B[5,6,6]C[6a])(C[5,6]N[5,6]C[6])(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	N[5,6](B[5,6,6]C[6,6]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	C[5](C[5]B[5,6,6]C[6a])(C[5,6]N[5,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	110.4220	0.488	2	110.4220	0.238	2	110.4220	0.238	2	110.2761	8.095	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	B[5,6a]-4:C[5,6]-3:C[6]-3:	N[5,6a]-3:C[5,6]-3:O-1:	C[5,6](N[5,6]B[5,6a]C[6])(C[5]N[5,6a]O)(C[6]C[6]H)	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,6a]B[5,6a]N[6a])(C[5,6]N[5,6]C[6])(O)	C[5,6](N[5,6]B[5,6a]C[6])(C[5]N[5,6a]O)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5,6](B[5,6a]C[6a,6a]N[5,6a]O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,6a]B[5,6a]N[6a])(C[5,6]N[5,6]C[6])(O){1|H<1>,1|O<2>,4|C<3>}	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	110.2761	8.095	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[5,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[5]C[6])(C[5]N[5]Cu)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])(H)	C[5,6](N[5,6]C[5,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Fe<10>,1|Cu<2>,1|C<3>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[5]C[6])(C[5]N[5]Cu){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])(H){1|Cu<2>,1|C<4>,1|H<1>,3|C<3>}	105.2260	0.303	2	105.2260	0.092	2	105.2260	0.092	2	110.2761	8.095	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,6]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	N[5,6](Ga[5,5]N[5,6]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	115.0000	0.000	1	115.0000	0.000	1	115.0000	0.000	1	110.2761	8.095	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Si[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Si[5,5]N[5,6]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]Si[5,5]C[6a])(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	N[5,6](Si[5,5]N[5,6]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]Si[5,5]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	111.9055	0.124	2	111.9055	0.015	2	111.9055	0.015	2	110.2761	8.095	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:2:	N[5,6]-3:C[5]-3:C[6]-3:	Si[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5,6](N[5,6]Si[5,6]C[6])(C[5]C[6a]O[5])(C[6]C[6]H)	N[5,6](Si[5,6]N[6]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,6])	C[5,6](N[5,6]Si[5,6]C[6])(C[5]C[6a]O[5])(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	N[5,6](Si[5,6]N[6]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,6]){2|N<3>,3|H<1>,4|C<3>}	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	N[5,6](B[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	N[5,6](B[5]C[6a]C[5]C)(C[5,6]C[5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	110.5470	0.000	1	110.5470	0.000	1	110.9488	0.187	5	110.7057	0.504	6	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	N[5,6](B[5]C[6a]C[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Cl<1>,2|H<1>,5|C<3>}	N[5,6](B[5]C[6a]C[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,3|H<1>,7|C<3>}	110.4570	0.000	1	110.4570	0.000	1	110.9488	0.187	5	110.7057	0.504	6	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]N[5,6]C)	N[5,6](B[5]C[6a]C[5]Cl)(C[5,6]C[5]C[6])(C[6]C[5,6]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]N[5,6]C){1|Cl<1>,1|B<4>,1|C<4>,5|C<3>}	N[5,6](B[5]C[6a]C[5]Cl)(C[5,6]C[5]C[6])(C[6]C[5,6]C){1|C<4>,1|N<3>,5|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,6|C<3>}	111.2467	0.199	3	111.2467	0.040	3	110.9488	0.187	5	110.7057	0.504	6	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Au)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Au<2>,1|C<4>,1|H<1>,5|C<3>}	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|Au<2>,1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Au){3|H<1>,6|C<3>}	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	110.7057	0.504	6	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Au)(CC3)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|Au<2>,1|C<4>,1|H<1>,3|C<3>}	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|Au<2>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Au)(CC3){1|H<1>,4|C<3>}	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-4:N-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N)(C[6]C[6]H)	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(NOO)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N)(C[6]C[6]H){3|C<3>,4|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(NOO){1|N<2>,2|H<1>,4|C<3>}	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	4:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:H-1:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]N[6]O)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6])(H)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]O){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	B[4,5]-4:C[5,6]-3:C[6]-3:	C[4,5]-4:C[5,6]-3:C[6a]-3:	C[5,6](N[5,6]B[4,5]C[6])(C[5]C[4,5]C[6a])(C[6]C[6]H)	N[5,6](B[4,5]C[4,5]C[6a]O[4])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[4,5]B[4,5]C[6a]C[4])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[5,6](N[5,6]B[4,5]C[6])(C[5]C[4,5]C[6a])(C[6]C[6]H){1|O<2>,2|H<1>,6|C<3>}	N[5,6](B[4,5]C[4,5]C[6a]O[4])(C[5,6]C[5]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[5](C[4,5]B[4,5]C[6a]C[4])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,7|C<3>}	113.4220	0.000	1	113.4220	0.000	1	113.4220	0.000	1	113.4220	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,6]N[5]2Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](Ga[5,5]N[5,6]N[5]2Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|Cl<1>,1|H<1>,2|N<3>,4|C<3>}	114.5120	0.000	1	114.5120	0.000	1	114.6135	0.088	4	114.6135	0.088	4	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,6]N[5]2O)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|O<3>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](Ga[5,5]N[5,6]N[5]2O)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|H<1>,1|O<3>,2|N<3>,4|C<3>}	114.6410	0.000	1	114.6410	0.000	1	114.6135	0.088	4	114.6135	0.088	4	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	5:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,6]N[5]2S)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](Ga[5,5]N[5,6]N[5]2S)(C[5,6]C[5]C[6])(C[6]C[6]H){3|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|H<1>,1|S<2>,2|N<3>,4|C<3>}	114.6505	0.501	2	114.6505	0.251	2	114.6135	0.088	4	114.6135	0.088	4	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	5:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C[6a]-3:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){2|Cl<1>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|Cl<1>,1|S<2>,3|H<1>,5|C<3>}	115.2420	0.000	1	115.2420	0.000	1	115.2420	0.000	1	115.2420	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	5:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[3x5]-5:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]C)(C[6]N[6]H)	N[5,6](Ga[3x5]N[5,5]N[5]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,5]Ga[3x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]C)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|S<2>}	N[5,6](Ga[3x5]N[5,5]N[5]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>,3|N<2>}	C[5](N[5,5]Ga[3x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	116.1930	0.000	1	116.1930	0.000	1	116.1930	0.000	1	115.8533	2.031	3	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	5:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[5,5]-5:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[5,6](Ga[5,5]N[5,5]S[5]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	115.8533	2.031	3	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	5:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-5:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]Se[5]Br2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|Se<2>,2|Br<1>,1|C<3>,1|N<2>,2|H<1>}	N[5,6](In[5,5]N[5,5]Se[5]Br2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|Se<2>,2|Br<1>,1|H<1>,3|C<3>}	117.0780	0.000	1	117.0780	0.000	1	117.0780	0.000	1	115.8533	2.031	3	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	6:3:3:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[3x5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H)	N[5,6](In[3x5]N[5,6]2O[5]3)(C[5,6]C[5]C[6])(C[6]C[6]C)	C[5](C[5,6]N[5,6]C[6])(O[5]In[3x5])(O)	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	N[5,6](In[3x5]N[5,6]2O[5]3)(C[5,6]C[5]C[6])(C[6]C[6]C){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5,6]N[5,6]C[6])(O[5]In[3x5])(O){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	115.0367	0.155	3	115.0367	0.024	3	115.0367	0.024	3	115.1758	0.064	5	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	6:3:3:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,6]In[5,5]C[6])(C[5]O[5]O)(C[6]C[6]C)	N[5,6](In[5,5]N[5,6]O[5]2OO)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(O[5]In[5,5])(O)	C[5,6](N[5,6]In[5,5]C[6])(C[5]O[5]O)(C[6]C[6]C){1|C<3>,1|N<3>,1|O<3>,2|H<1>,2|O<2>}	N[5,6](In[5,5]N[5,6]O[5]2OO)(C[5,6]C[5]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6])(O[5]In[5,5])(O){1|N<3>,1|O<3>,2|O<2>,3|C<3>}	115.3845	0.251	2	115.3845	0.063	2	115.3845	0.063	2	115.1758	0.064	5	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]H)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]S[5]Cl3)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]H)(C[6]C[6]H){3|Cl<1>,1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[5,6](In[5,5]N[5,5]S[5]Cl3)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(H){3|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	117.9340	0.000	1	117.9340	0.000	1	117.9340	0.000	1	117.4800	0.412	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]H)(C[6]C[6]H)	N[5,6](In[5]N[5]O[5]Cl3)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]In[5])(H)	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]H)(C[6]C[6]H){3|Cl<1>,1|O<3>,2|C<3>,2|H<1>}	N[5,6](In[5]N[5]O[5]Cl3)(C[5,6]C[5]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]In[5])(H){3|Cl<1>,1|H<1>,1|O<3>,4|C<3>}	117.0260	0.000	1	117.0260	0.000	1	117.0260	0.000	1	117.4800	0.412	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	6:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[4x5]-6:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C[6a]-3:	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	N[5,6](Ga[4x5]N[5,5]2N[5,6]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,2|N<3>,2|S<2>,3|C<3>}	N[5,6](Ga[4x5]N[5,5]2N[5,6]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){2|H<1>,2|N<2>,7|C<3>}	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|N<3>,2|S<2>,3|H<1>,5|C<3>}	115.2860	0.462	2	115.2860	0.214	2	115.2860	0.214	2	115.2860	0.214	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	6:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	Ga[4x5]-6:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](Ga[4x5]N[5,5]2N[5,6]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|S<2>}	N[5,6](Ga[4x5]N[5,5]2N[5,6]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,2|N<2>,6|C<3>}	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,2|N<3>,2|S<2>,3|C<3>}	115.6925	0.350	2	115.6925	0.123	2	115.6925	0.123	2	116.4905	0.262	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	6:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	In[4x5]-6:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]In[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](In[4x5]N[5,5]2N[5,6]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,5]In[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]In[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|S<2>}	N[5,6](In[4x5]N[5,5]2N[5,6]S[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,2|N<2>,6|C<3>}	C[5](N[5,5]In[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,2|N<3>,2|S<2>,3|C<3>}	116.5337	0.398	4	116.5337	0.159	4	116.5337	0.159	4	116.4905	0.262	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	6:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]S[5]Br2O)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Br<1>,1|C<3>,1|N<2>,1|O<3>,1|S<2>,2|H<1>}	N[5,6](In[5,5]N[5,5]S[5]Br2O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Br<1>,1|H<1>,1|O<3>,1|S<2>,3|C<3>}	116.6630	0.000	1	116.6630	0.000	1	116.7752	0.085	5	116.4905	0.262	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	6:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]S[5]Cl2O)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|H<1>}	N[5,6](In[5,5]N[5,5]S[5]Cl2O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	116.5240	0.000	1	116.6785	0.048	2	116.7752	0.085	5	116.4905	0.262	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	6:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]S[5]Cl2O)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|O<3>,1|S<2>,2|H<1>}	N[5,6](In[5,5]N[5,5]S[5]Cl2O)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|O<3>,1|S<2>,3|C<3>}	116.8330	0.000	1	116.6785	0.048	2	116.7752	0.085	5	116.4905	0.262	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	6:3:3:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	In[5,5]-6:C[5,6]-3:C[6]-3:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	N[5,6](In[5,5]N[5,5]S[5]Cl2S)(C[5,6]C[5]C[6])(C[6]C[6]C)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|S<2>}	N[5,6](In[5,5]N[5,5]S[5]Cl2S)(C[5,6]C[5]C[6])(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,2|S<2>,3|C<3>}	116.9280	0.462	2	116.9280	0.214	2	116.7752	0.085	5	116.4905	0.262	11	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:3:	7:3:3:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	In[3x5]-7:C[5,6]-3:C[6]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H)	N[5,6](In[3x5]N[5,5,6]O[5]3OO)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(O[5]In[3x5])(O)	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,2|O<3>}	N[5,6](In[3x5]N[5,5,6]O[5]3OO)(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6])(O[5]In[3x5])(O){1|H<1>,1|N<3>,2|C<3>,2|O<2>,2|O<3>}	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:4:	4:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6,6]-4:C[5,5a]-3:C[5,6]-3:	N[5,5a]-3:C[5,6]-3:N-3:	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH)	N[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5a]N[5,5a]S[5a])(C[5,6]C[5]C[6])	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH)	C[5,6](N[5,6]C[5,6,6]C[5,5a])(C[5]N[5,5a]N)(C[6]O[6]HH){1|C<3>,1|S<2>,3|C<4>}	N[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5a]N[5,5a]S[5a])(C[5,6]C[5]C[6]){1|N<3>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:4:	4:3:3:	4:3:3:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,5]-4:C[6,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH)	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6])(COO)	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH){2|O<2>,4|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]N[5,6]C[6])(COO){1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	112.9490	0.000	1	112.9490	0.000	1	112.9250	0.001	2	112.9250	0.001	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:3:4:	4:3:3:	4:3:3:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,5]-4:C[6,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH)	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]N[5,6]C[6])(COO)	C[5,6](N[5,6]C[6,6a]C[5,5])(C[5]C[5,5]C)(C[6]S[6]HH){2|O<2>,4|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]N[5,6]C[6])(COO){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	112.9010	0.000	1	112.9010	0.000	1	112.9250	0.001	2	112.9250	0.001	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:4:3:	3:4:2:	3:3:1:	N[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5])	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]N[5])(H)	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H){1|C<3>,1|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]N[5])(H){2|C<3>,2|C<4>,2|H<1>}	104.9195	0.087	2	104.9195	0.008	2	104.9195	0.008	2	104.9195	0.008	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:4:3:	3:4:3:	3:3:1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[5]C[6])(B[6]O[6]CC)(C[5]N[5]H)	N[5,6](C[5,6]B[6]C[5])(C[6]C[6]HH)(C[5]N[5]H)	C[5](C[5,6]N[5,6]B[6])(N[5]C[5]C)(H)	C[5,6](N[5,6]C[5]C[6])(B[6]O[6]CC)(C[5]N[5]H){2|C<4>,3|H<1>}	N[5,6](C[5,6]B[6]C[5])(C[6]C[6]HH)(C[5]N[5]H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]B[6])(N[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<4>}	103.8150	0.000	1	103.8150	0.000	1	103.8150	0.000	1	103.8150	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	3:4:3:	4:3:2:	3:3:1:	N[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6]-3:N[5]-2:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(C[5]N[5]H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(N[5]N[5])	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]H)(H)	C[5,6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(C[5]N[5]H){2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(N[5]N[5]){1|C<4>,1|N<4>,1|O<2>,7|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	104.2070	0.000	1	104.2070	0.000	1	104.2070	0.000	1	104.2070	0.000	1	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5]	4:3:3:	3:3:4:	3:4:1:	C[5,6]-4:N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]N[5a,6]C[5]N[5])(N[5,6]C[5]C[6])(C[5]C[5]H)	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]O)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[5a,6]C[5]N[5])(N[5,6]C[5]C[6])(C[5]C[5]H){1|N<2>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]O)(C[5]C[5]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	110.9520	0.202	2	110.9520	0.041	2	110.9520	0.041	2	110.9520	0.041	2	109.9579	18.624	147	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:C[6a]-3:	N[6,6]-3:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]N[6,6])(N[5]C[6a]C[5])(N[6]C[6,6a])	N[5](C[5,6]C[5,6,6]N[6])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6])(C[5,6]N[5]N[6])	C[5,6](C[5,6,6]C[5,6]N[6,6])(N[5]C[6a]C[5])(N[6]C[6,6a]){1|O<1>,6|C<3>}	N[5](C[5,6]C[5,6,6]N[6])(C[5]C[5,6]O)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6])(C[5,6]N[5]N[6]){1|N<2>,1|O<1>,5|C<3>}	106.4973	0.322	3	106.4973	0.104	3	106.4973	0.104	3	106.4973	0.104	3	106.4973	0.104	3	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:2:3:	3:3:4:	3:2:2:	C[5,6]-3:P[6]-2:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-2:S[5]-2:	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6])(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(S[5]C[5])	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6])(N[5]C[5]C){1|C<3>,1|S<1>,1|S<2>}	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,1|P<2>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(S[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	112.0760	0.000	1	112.0760	0.000	1	112.0760	0.000	1	112.0760	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:2:3:	3:3:4:	3:2:3:	C[5,6]-3:P[6]-2:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-2:N[5]-3:	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(N[5]C[5]C)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|P<2>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,1|N<3>}	106.0798	0.245	4	106.0290	0.051	8	106.0290	0.051	8	106.0290	0.051	8	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:2:3:	3:3:4:	3:2:3:	C[5,6]-3:P[6]-2:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-2:N[5]-3:	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(N[5]C[5]C)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|P<2>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6])(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,1|N<3>}	105.9783	0.226	4	106.0290	0.051	8	106.0290	0.051	8	106.0290	0.051	8	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:2:3:	3:3:4:	3:3:2:	C[5,6]-3:Se[6]-2:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5,6]-3:S[5]-2:	C[5,6](C[5,6]C[5,6]S[5])(Se[6]Se[6])(N[5]C[5]C)	N[5](C[5,6]C[5,6]Se[6])(C[5]S[5]S)(CCHH)	C[5,6](C[5,6]C[5,6]S[5])(C[5,6]Se[6]N[5])(S[5]C[5])	C[5,6](C[5,6]C[5,6]S[5])(Se[6]Se[6])(N[5]C[5]C){1|C<3>,1|S<1>,1|S<2>}	N[5](C[5,6]C[5,6]Se[6])(C[5]S[5]S)(CCHH){1|Se<2>,1|C<3>}	C[5,6](C[5,6]C[5,6]S[5])(C[5,6]Se[6]N[5])(S[5]C[5]){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,1|S<1>}	113.5875	0.435	2	113.5875	0.189	2	113.5875	0.189	2	113.5875	0.189	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:2:1:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-2:H-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5])(H)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Ru)(C[6]N[6]S)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6]){1|Ru<9>,1|H<1>,1|N<3>,1|S<2>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5])(H){1|Ru<9>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Ru)(C[6]N[6]S){1|C<3>,2|H<1>}	105.1360	0.000	1	105.1360	0.000	1	105.1360	0.000	1	105.1360	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(C[6]C[6])	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(C[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	106.3230	0.000	1	106.3230	0.000	1	106.3230	0.000	1	105.4393	1.091	4	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:C-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(C)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cu)(C[6]N[6]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cu<5>,1|H<1>,1|O<2>,2|N<3>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(C){1|Cu<5>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cu)(C[6]N[6]O){1|C<1>,1|C<3>,2|H<1>}	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	105.4393	1.091	4	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Fe)(C[6]N[6]S)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6]){1|Fe<6>,1|N<3>,1|S<2>,2|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(H){1|Fe<6>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Fe)(C[6]N[6]S){1|C<3>,3|H<1>}	104.1220	0.000	1	104.1220	0.000	1	105.1770	2.226	2	105.4393	1.091	4	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Sn)(C[6]N[6]S)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6]){1|Sn<5>,1|H<1>,1|N<3>,2|S<2>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(H){1|Sn<5>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Sn)(C[6]N[6]S){1|Sn<5>,1|C<3>,2|H<1>}	106.2320	0.000	1	106.2320	0.000	1	105.1770	2.226	2	105.4393	1.091	4	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:2:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6]-3:C[5]-3:C-2:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6])	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CC[6a])	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6]){1|Pd<4>,1|C<2>,1|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CC[6a]){1|C<4>,2|C<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6]){1|Pd<4>,2|C<2>}	106.4340	0.000	1	106.4340	0.000	1	106.4340	0.000	1	106.4340	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-2:	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6])	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(C[6]N[6]2)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]O)(C[6]C[6])	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|N<2>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(C[6]N[6]2){1|O<1>,4|C<2>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]O)(C[6]C[6]){1|Br<1>,1|C<2>,1|C<3>,1|O<2>}	110.3290	0.000	1	110.3290	0.000	1	110.3290	0.000	1	106.4882	4.637	5	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6]-3:N[5]-3:Ge[6]-2:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:N[5]-3:Ge[6]-2:	C[5,6](C[5,6]Ge[6]N[5])(N[5]C[6a]C[5])(Ge[6]C[5,6])	N[5](C[5,6]C[5,6]Ge[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6](C[5,6]Ge[6]N[5])(N[5]C[6a]C[5])(Ge[6]C[5,6])	C[5,6](C[5,6]Ge[6]N[5])(N[5]C[6a]C[5])(Ge[6]C[5,6]){1|N<3>,5|C<3>}	N[5](C[5,6]C[5,6]Ge[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ge<2>,2|C<4>,6|C<3>}	C[5,6](C[5,6]Ge[6]N[5])(N[5]C[6a]C[5])(Ge[6]C[5,6]){1|N<3>,5|C<3>}	105.5280	0.190	4	105.5280	0.036	4	105.5280	0.036	4	106.4882	4.637	5	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:3:	4:3:3:	C[5,6]-3:N[5]-3:O[6]-2:	C[5,6]-3:C[6a]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6])	N[5](C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C){3|H<1>,4|C<3>}	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]C)(C[6]C[6])	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]C)(C[6]C[6]){2|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3){2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	112.2630	0.000	1	112.2630	0.000	1	112.2630	0.000	1	109.2265	18.441	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6])	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6]){1|Pd<4>,2|C<2>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH){3|C<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6]){1|Pd<4>,1|C<2>,1|C<4>}	106.1900	0.000	1	106.1900	0.000	1	106.1900	0.000	1	109.2265	18.441	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3)	C[5,6](C[5,6]N[5]N[6])(C[6]C[5a]N[6])(N[5]C[5]Pd)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pd<4>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3){1|Pd<4>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5a]N[6])(N[5]C[5]Pd){1|Pd<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.8960	0.000	1	105.8960	0.000	1	105.8960	0.000	1	106.4380	0.421	25	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cu)(C[6]N[6]N)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cu<4>,2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Cu<4>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cu)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	106.6205	0.517	2	106.6205	0.267	2	106.4605	0.426	24	106.4380	0.421	25	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]N)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<4>,2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]N){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	107.4540	0.000	1	107.4540	0.000	1	106.4605	0.426	24	106.4380	0.421	25	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	106.6620	0.000	1	106.6620	0.000	1	106.4605	0.426	24	106.4380	0.421	25	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Ru)(C[6]N[6]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Ru<9>,1|H<1>,1|O<1>,2|N<2>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CCHH){1|Ru<9>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Ru)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	106.4485	0.110	2	106.4485	0.012	2	106.4605	0.426	24	106.4380	0.421	25	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cd)(C[6]N[6]N)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cd<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH){1|Cd<4>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cd)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	106.6968	1.073	4	106.6265	0.525	8	106.4605	0.426	24	106.4380	0.421	25	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cd)(C[6]N[6]N)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cd<6>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CC[6a]HH){1|Cd<6>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cd)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	106.5563	0.249	4	106.6265	0.525	8	106.4605	0.426	24	106.4380	0.421	25	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]N)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<6>,2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3){1|Pt<6>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]N){1|Pt<6>,1|C<3>,1|C<4>,1|H<1>}	105.9087	0.684	6	105.9087	0.467	6	106.4605	0.426	24	106.4380	0.421	25	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<4>,1|N<3>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	106.5838	0.321	4	106.5838	0.103	4	106.4605	0.426	24	106.4380	0.421	25	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:4:3:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-4:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Co)(C[6]N[6]S)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]){1|Co<6>,1|C<4>,1|O<2>,1|S<2>,2|H<1>,2|N<3>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Co)(C[6]N[6]S){1|C<3>,1|C<4>,2|H<1>}	106.9427	0.792	6	106.9427	0.627	6	106.5542	0.965	8	106.5542	0.965	8	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:4:3:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6]-3:C[5]-4:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6])	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]){1|Pt<4>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	105.3890	0.000	2	105.3890	0.000	2	106.5542	0.965	8	106.5542	0.965	8	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:2:	3:4:3:	3:4:3:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6])	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]2)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6]){1|C<2>,2|C<3>,6|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]2){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){2|C<3>,3|H<1>}	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H){1|C<2>,1|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(C[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	105.4890	0.000	1	105.4890	0.000	1	105.4890	0.000	1	106.4870	0.960	3	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Co<6>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Co<6>,1|N<2>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]){2|N<3>,3|H<1>}	106.5240	0.000	1	106.5240	0.000	1	106.9860	0.427	2	106.4870	0.960	3	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Pt<4>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Pt<4>,1|N<2>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]){2|N<3>,3|H<1>}	107.4480	0.000	1	107.4480	0.000	1	106.9860	0.427	2	106.4870	0.960	3	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	112.3440	0.000	1	112.3440	0.000	1	108.0697	13.722	3	107.2445	7.058	19	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<2>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,3|H<1>}	106.0740	0.000	1	105.9325	0.040	2	108.0697	13.722	3	107.2445	7.058	19	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|C<2>,1|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<2>,4|H<1>}	105.7910	0.000	1	105.9325	0.040	2	108.0697	13.722	3	107.2445	7.058	19	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]S)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Cu)(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|Cu<4>,1|C<2>,1|S<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]S)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Cu)(C[6]C[6]H){1|C<3>,1|S<2>,2|H<1>}	104.7490	0.000	1	104.7490	0.000	1	104.7490	0.000	1	107.2445	7.058	19	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]H)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Cl<1>,1|C<4>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	110.7100	0.000	1	110.7100	0.000	1	107.2458	6.524	15	107.2445	7.058	19	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]Co)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){2|Co<6>,1|C<3>,1|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Co<6>,1|N<2>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]Co){1|N<2>,1|N<3>,3|H<1>}	107.3173	1.821	4	107.3173	3.316	4	107.2458	6.524	15	107.2445	7.058	19	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]H)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Co<6>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Co<6>,1|N<2>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]H){1|N<2>,2|H<1>,2|N<3>}	105.4355	0.098	2	105.4355	0.010	2	107.2458	6.524	15	107.2445	7.058	19	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Cu)(N[6]C[6]Cu)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){2|Cu<5>,1|C<3>,1|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Cu<5>,1|N<2>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Cu)(N[6]C[6]Cu){1|N<2>,1|N<3>,3|H<1>}	106.1480	0.521	4	106.1480	0.271	4	107.2458	6.524	15	107.2445	7.058	19	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Ni)(N[6]C[6]Ni)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){2|Ni<6>,1|C<3>,1|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ni<6>,1|N<2>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Ni)(N[6]C[6]Ni){1|N<2>,1|N<3>,3|H<1>}	106.3540	0.000	1	106.3540	0.000	1	107.2458	6.524	15	107.2445	7.058	19	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]H)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Pt<6>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Pt<6>,1|N<2>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]H){1|N<2>,1|N<3>,3|H<1>}	105.7130	0.000	1	105.7130	0.000	1	107.2458	6.524	15	107.2445	7.058	19	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Ru)(N[6]C[6]Ru)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]H){2|Ru<6>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|O<1>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Ru)(N[6]C[6]Ru){1|N<3>,1|O<1>,3|H<1>}	110.5890	5.627	2	110.5890	31.665	2	107.2458	6.524	15	107.2445	7.058	19	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]H)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(H)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	4:3:2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-2:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(H)	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6])	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]H)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6]){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	112.4270	0.000	1	112.4270	0.000	1	112.4270	0.000	1	112.4270	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6]H)(C[6]C[6]O)	N[5](C[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5])	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]){1|O<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	106.6935	1.869	2	106.6935	3.493	2	106.6935	3.493	2	106.6935	3.493	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Cr)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Cr<6>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Cr){1|O<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Cr<6>,1|O<1>,5|C<3>}	107.1630	0.612	2	107.1630	0.375	2	107.0959	0.123	12	107.0959	0.123	12	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|O<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	107.3180	0.000	1	107.3180	0.000	1	107.0959	0.123	12	107.0959	0.123	12	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ir<4>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ir){1|O<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ir<4>,1|O<1>,5|C<3>}	107.2460	0.455	2	107.2293	0.105	3	107.0959	0.123	12	107.0959	0.123	12	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ir<6>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ir){1|O<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ir<6>,1|O<1>,5|C<3>}	107.1960	0.000	1	107.2293	0.105	3	107.0959	0.123	12	107.0959	0.123	12	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ni<7>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ni){1|O<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ni<7>,1|O<1>,5|C<3>}	107.1105	0.286	2	107.1105	0.082	2	107.0959	0.123	12	107.0959	0.123	12	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Pd<4>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Pd){1|O<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Pd<4>,1|O<1>,5|C<3>}	106.8090	0.000	1	106.8090	0.000	1	107.0959	0.123	12	107.0959	0.123	12	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Pt)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Pt<4>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Pt){1|O<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Pt<4>,1|O<1>,5|C<3>}	106.9530	0.000	1	106.9530	0.000	1	107.0959	0.123	12	107.0959	0.123	12	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]W)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|O<1>,1|W<6>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]W){1|O<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|O<1>,1|W<6>,5|C<3>}	106.9180	0.638	2	106.9180	0.407	2	107.0959	0.123	12	107.0959	0.123	12	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6,6a]O){2|C<4>,2|O<1>,4|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC){2|O<1>,3|C<3>}	111.1080	0.000	1	111.1080	0.000	1	109.2545	6.871	2	109.2545	6.871	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	107.4010	0.000	1	107.4010	0.000	1	109.2545	6.871	2	109.2545	6.871	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(N[5]C[6a]C[5])	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(N[5]C[6a]C[5]){1|H<1>,2|C<4>,2|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){2|O<1>,3|C<3>}	106.4030	0.000	1	106.4030	0.000	1	106.4030	0.000	1	106.8360	0.375	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>}	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	106.8360	0.375	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:2:2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-2:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]Cl)(CH3)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6])(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]Cl)(CH3){1|C<2>,1|C<3>,1|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6])(S[5]C[5]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:2:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-3:S[5]-2:	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]Cl)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Cl)(S[5]C[5])	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]Cl)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|S<1>,1|S<2>}	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|Cl<1>,1|C<3>,1|P<3>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Cl)(S[5]C[5]){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|S<1>}	112.8100	0.000	1	112.8100	0.000	1	112.3431	0.371	9	112.3431	0.371	9	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:2:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-3:S[5]-2:	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]N)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]P)(S[5]C[5])	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]N)(N[5]C[5]C){1|C<3>,1|P<3>,1|S<1>,1|S<2>}	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,1|N<3>,1|P<3>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]P)(S[5]C[5]){1|C<3>,1|C<4>,1|S<1>,2|N<3>}	111.7845	0.575	2	111.7845	0.330	2	112.3431	0.371	9	112.3431	0.371	9	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:2:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-3:S[5]-2:	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]N)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]P[6])(S[5]C[5])	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]N)(N[5]C[5]C){1|C<3>,1|P<3>,1|S<1>,1|S<2>}	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,1|N<3>,1|P<3>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]P[6])(S[5]C[5]){1|C<4>,1|S<1>,2|N<3>,3|C<3>}	112.3915	0.066	2	112.3915	0.004	2	112.3431	0.371	9	112.3431	0.371	9	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:2:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-3:S[5]-2:	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]P)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]N)(S[5]C[5])	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]P)(N[5]C[5]C){1|C<3>,1|N<3>,1|S<1>,1|S<2>}	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,2|P<3>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]N)(S[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|P<3>,1|S<1>}	111.8295	0.057	2	111.8295	0.003	2	112.3431	0.371	9	112.3431	0.371	9	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:2:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-3:S[5]-2:	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]P[6])(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]N)(S[5]C[5])	C[5,6](C[5,6]P[6]S[5])(P[6]C[5,6]P[6])(N[5]C[5]C){1|N<3>,1|S<1>,1|S<2>,3|C<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]S[5]S)(CCHH){1|C<3>,2|P<3>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]N)(S[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|P<3>,1|S<1>}	113.1335	0.053	2	113.1335	0.003	2	112.3431	0.371	9	112.3431	0.371	9	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]H){1|O<1>,2|C<3>,2|C<4>}	106.2720	0.000	1	106.2720	0.000	1	106.2720	0.000	1	106.7083	0.401	18	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(CH3)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]Pt)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]C){2|Pt<4>,1|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]H)(CH3){1|Pt<4>,1|O<1>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]Pt){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	104.6990	0.000	1	104.6990	0.000	1	104.6990	0.000	1	106.7083	0.401	18	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Al)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Al)(N[5]C[5]C)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Al)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Al<4>,1|C<3>,1|C<4>,1|P<3>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Al)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	107.2295	0.524	4	107.2295	0.275	4	106.8612	0.148	16	106.7083	0.401	18	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]N)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]N)(N[5]C[5]C)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]N)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|N<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]Se)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|P<3>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]N)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|N<3>}	106.5258	0.240	4	106.5258	0.058	4	106.8612	0.148	16	106.7083	0.401	18	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]S)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]S)(N[5]C[5]C)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]S)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|S<1>,1|S<2>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]S)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|S<1>,1|S<2>}	106.8508	0.243	4	106.8508	0.059	4	106.8612	0.148	16	106.7083	0.401	18	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-3:N[5]-3:	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Se)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Se)(N[5]C[5]C)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Se)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,1|S<1>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]S)(CCHH){1|Se<2>,1|C<3>,1|C<4>,1|P<3>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]Se)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,1|S<1>}	106.8388	0.130	4	106.8388	0.017	4	106.8612	0.148	16	106.7083	0.401	18	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:4:1:	4:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]H)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H)	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(N[6]C[6]H)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(N[6]C[6]H){4|C<3>,4|H<1>}	111.7483	0.730	3	111.7483	0.533	3	111.7483	0.533	3	111.7483	0.533	3	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6]-3:C[5]-4:C[5]-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]H)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]2H)(C[5]N[5]H)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]2H)(C[5]N[5]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	105.5410	0.000	1	105.5410	0.000	1	105.5410	0.000	1	105.5410	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:4:3:	3:4:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(N[5]C[5]C[6])(C[6]C[6]O)	N[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(C[5]O[5]N)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(N[5]C[5]C[6])(C[6]C[6]O){1|N<2>,3|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(C[5]O[5]N){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5]){1|N<2>,1|O<1>,4|C<4>}	107.8070	0.000	1	107.8070	0.000	1	107.8070	0.000	1	107.8070	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:N[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Cu)(N[5]C[5]C)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Cu)(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CCO){1|Cu<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	110.0070	0.000	1	110.5715	0.637	2	110.5715	0.637	2	110.5715	0.637	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:N[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Cu)(N[5]C[5]C)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Cu)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CCO){1|Cu<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	111.1360	0.000	1	110.5715	0.637	2	110.5715	0.637	2	110.5715	0.637	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	3:4:4:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|O<1>,2|C<3>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|O<1>,2|C<3>,3|C<4>}	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:3:	5:3:3:	3:2:3:	N[5]-3:C[5,6]-3:C[6]-3:	In[5,5]-5:C[5,6]-3:C[6a]-3:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6](N[5]In[5,5]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]H)	N[5](In[5,5]N[5]O[5]2I)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6]N[5])(O[5]In[5,5])(C[6]C[6]C)	C[5,6](N[5]In[5,5]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]H){1|I<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	N[5](In[5,5]N[5]O[5]2I)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6](C[5,6]C[6]N[5])(O[5]In[5,5])(C[6]C[6]C){1|C<4>,1|I<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	117.3350	0.682	4	117.3350	0.465	4	117.3350	0.465	4	117.3350	0.465	4	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Co)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Co<5>,1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Co){2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Co<5>,1|C<4>,3|C<3>,4|H<1>}	106.8820	0.318	2	106.8820	0.101	2	106.8613	0.085	10	106.8613	0.085	10	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Fe)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Fe<3>,1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Fe){2|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6]HH){1|Fe<3>,1|C<4>,3|C<3>,4|H<1>}	106.8561	0.307	8	106.8561	0.094	8	106.8613	0.085	10	106.8613	0.085	10	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:4:	3:3:4:	3:4:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	112.2110	0.000	1	112.2110	0.000	1	112.2110	0.000	1	112.8520	0.822	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:4:	3:3:4:	3:4:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	112.8520	0.822	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:4:	4:3:1:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	112.8130	0.000	1	112.8130	0.000	1	112.8130	0.000	1	112.8130	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:4:	4:3:3:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	112.7610	0.279	2	112.7610	0.078	2	112.8484	0.034	5	112.8484	0.034	5	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:4:	4:3:3:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	113.0520	0.000	1	113.0520	0.000	1	112.8484	0.034	5	112.8484	0.034	5	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:3:4:	4:3:3:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	112.8340	0.027	2	112.8340	0.001	2	112.8484	0.034	5	112.8484	0.034	5	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:4:3:	3:2:4:	3:4:3:	C[5,6]-3:P[6]-4:N[5]-3:	C[5,6]-3:C[5]-2:C-4:	C[5,6]-3:P[6]-4:N[5]-3:	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5])(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5])(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	105.8580	0.332	2	105.8580	0.110	2	105.8580	0.110	2	105.8580	0.110	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:4:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]N)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]N)(H){4|C<4>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5]){1|N<2>,3|C<4>,3|H<1>}	113.0660	0.000	1	113.0870	0.001	2	113.0870	0.001	2	113.0870	0.001	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:4:3:	3:3:1:	3:4:2:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]N)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H){1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[5]S[5]N)(H){4|C<4>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5]){1|N<3>,3|C<4>,3|H<1>}	113.1080	0.000	1	113.0870	0.001	2	113.0870	0.001	2	113.0870	0.001	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:4:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:N[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(N[5]N[5]H){2|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H){3|C<4>,4|H<1>}	107.8005	0.249	4	107.8005	0.062	4	107.8005	0.062	4	107.8005	0.062	4	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:4:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:N[5]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H)	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(H){2|H<1>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,3|C<3>,5|H<1>}	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:4:3:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C){1|Pd<4>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]Pd)(CCHH){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]C[5]C){1|Pd<4>,2|C<4>,4|H<1>}	106.2775	1.986	2	106.2775	3.945	2	106.2775	3.945	2	106.3139	0.674	8	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:4:3:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C)	N[5](C[5,6]C[5,6]C[6])(N[5]N[5]Pt)(CCHH)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C){1|Pt<4>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(N[5]N[5]Pt)(CCHH){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(N[5]N[5]C){1|Pt<4>,2|C<4>,4|H<1>}	106.1510	0.364	4	106.1510	0.133	4	106.1510	0.133	4	106.3139	0.674	8	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:4:3:	3:3:4:	3:4:3:	C[5,6]-3:P[6]-4:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6]-3:P[6]-4:N[5]-3:	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C)	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C)	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6]C[5,6]P[6])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>}	C[5,6](C[5,6]N[5]P[6])(P[6]C[5,6]NO)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	106.6760	0.025	2	106.6760	0.001	2	106.6760	0.001	2	106.3139	0.674	8	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:4:3:	3:3:4:	4:3:4:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	111.1500	0.000	1	111.1500	0.000	1	111.1500	0.000	1	111.1500	0.000	1	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6]	3:4:3:	3:4:1:	4:3:3:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6]-3:C[5]-4:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	112.4010	0.014	2	112.4010	0.000	2	112.4010	0.000	2	112.4010	0.000	2	108.0660	8.306	181	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6]	3:3:1:	6:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:H-1:	In[5,5]-6:C[5]-3:N[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(H)	N[5,5](In[5,5]N[5,6]S[5]Cl3)(C[5]C[5,6]H)(N[5]C[5])	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]H)(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(H){3|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	N[5,5](In[5,5]N[5,6]S[5]Cl3)(C[5]C[5,6]H)(N[5]C[5]){1|N<3>,2|C<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]H)(C[6]C[6]H){3|Cl<1>,1|C<3>,1|N<2>,1|S<2>,2|H<1>}	117.8040	0.000	1	117.8040	0.000	1	117.8040	0.000	1	117.8040	0.000	1	115.2453	1.200	18	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6]	3:3:3:	5:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C[6a]-3:	Ga[5,5]-5:C[5]-3:N[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C[6a])(N[5]C[5])	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|Cl<1>,1|S<2>,3|H<1>,5|C<3>}	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C[6a])(N[5]C[5]){1|N<3>,4|C<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){2|Cl<1>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	115.2453	1.200	18	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6]	3:3:3:	6:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C[6a]-3:	Ga[4x5]-6:C[5]-3:N[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	N[5,5](Ga[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C[6a])(N[5]C[5])	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|N<3>,2|S<2>,3|H<1>,5|C<3>}	N[5,5](Ga[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C[6a])(N[5]C[5]){1|N<2>,1|N<3>,8|C<3>}	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,2|N<3>,2|S<2>,3|C<3>}	114.5980	0.585	2	114.5980	0.343	2	114.5980	0.343	2	114.5980	0.343	2	115.2453	1.200	18	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6]	3:3:4:	5:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	Ga[3x5]-5:C[5]-3:N[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]Ga[3x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	N[5,5](Ga[3x5]N[5,6]N[5]S[5]2)(C[5]C[5,6]C)(N[5]C[5])	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]C)(C[6]N[6]H)	C[5](N[5,5]Ga[3x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	N[5,5](Ga[3x5]N[5,6]N[5]S[5]2)(C[5]C[5,6]C)(N[5]C[5]){1|N<2>,1|N<3>,4|C<3>}	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]C)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|S<2>}	114.3930	0.000	1	114.3930	0.000	1	114.3930	0.000	1	114.9720	0.318	3	115.2453	1.200	18	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6]	3:3:4:	5:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	Ga[5,5]-5:C[5]-3:N[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C)(N[5]C[5])	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	N[5,5](Ga[5,5]N[5,6]S[5]Cl2)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|S<2>,2|H<1>}	115.0030	0.000	1	115.0030	0.000	1	115.0030	0.000	1	114.9720	0.318	3	115.2453	1.200	18	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6]	3:3:4:	5:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	In[5,5]-5:C[5]-3:N[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	N[5,5](In[5,5]N[5,6]Se[5]Br2)(C[5]C[5,6]C)(N[5]C[5])	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|Se<2>,2|Br<1>,1|H<1>,3|C<3>}	N[5,5](In[5,5]N[5,6]Se[5]Br2)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|Se<2>,2|Br<1>,1|C<3>,1|N<2>,2|H<1>}	115.5200	0.000	1	115.5200	0.000	1	115.5200	0.000	1	114.9720	0.318	3	115.2453	1.200	18	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6]	3:3:4:	6:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	Ga[4x5]-6:C[5]-3:N[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	N[5,5](Ga[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C)(N[5]C[5])	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,2|N<3>,2|S<2>,3|C<3>}	N[5,5](Ga[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C)(N[5]C[5]){1|N<2>,1|N<3>,6|C<3>}	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|S<2>}	113.3655	0.359	2	113.3655	0.129	2	113.3655	0.129	2	115.3285	0.990	11	115.2453	1.200	18	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6]	3:3:4:	6:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	In[4x5]-6:C[5]-3:N[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	N[5,5](In[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C)(N[5]C[5])	C[5,6](N[5,6]In[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]In[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,2|N<3>,2|S<2>,3|C<3>}	N[5,5](In[4x5]N[5,5]N[5,6]2S[5]2)(C[5]C[5,6]C)(N[5]C[5]){1|N<2>,1|N<3>,6|C<3>}	C[5,6](N[5,6]In[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|S<2>}	115.8257	0.100	4	115.8257	0.010	4	115.8257	0.010	4	115.3285	0.990	11	115.2453	1.200	18	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6]	3:3:4:	6:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	In[5,5]-6:C[5]-3:N[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	N[5,5](In[5,5]N[5,6]S[5]Br2O)(C[5]C[5,6]C)(N[5]C[5])	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Br<1>,1|H<1>,1|O<3>,1|S<2>,3|C<3>}	N[5,5](In[5,5]N[5,6]S[5]Br2O)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Br<1>,1|C<3>,1|N<2>,1|O<3>,1|S<2>,2|H<1>}	115.5760	0.000	1	115.5760	0.000	1	115.7160	0.073	5	115.3285	0.990	11	115.2453	1.200	18	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6]	3:3:4:	6:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	In[5,5]-6:C[5]-3:N[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	N[5,5](In[5,5]N[5,6]S[5]Cl2O)(C[5]C[5,6]C)(N[5]C[5])	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	N[5,5](In[5,5]N[5,6]S[5]Cl2O)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|H<1>}	115.4720	0.000	1	115.4940	0.001	2	115.7160	0.073	5	115.3285	0.990	11	115.2453	1.200	18	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6]	3:3:4:	6:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	In[5,5]-6:C[5]-3:N[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	N[5,5](In[5,5]N[5,6]S[5]Cl2O)(C[5]C[5,6]C)(N[5]C[5])	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|O<3>,1|S<2>,3|C<3>}	N[5,5](In[5,5]N[5,6]S[5]Cl2O)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|O<3>,1|S<2>,2|H<1>}	115.5160	0.000	1	115.4940	0.001	2	115.7160	0.073	5	115.3285	0.990	11	115.2453	1.200	18	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6]	3:3:4:	6:3:2:	3:3:3:	N[5,5]-3:C[5,6]-3:C-4:	In[5,5]-6:C[5]-3:N[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	N[5,5](In[5,5]N[5,6]S[5]Cl2S)(C[5]C[5,6]C)(N[5]C[5])	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,2|S<2>,3|C<3>}	N[5,5](In[5,5]N[5,6]S[5]Cl2S)(C[5]C[5,6]C)(N[5]C[5]){1|N<3>,2|C<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|S<2>}	116.0080	0.037	2	116.0080	0.001	2	115.7160	0.073	5	115.3285	0.990	11	115.2453	1.200	18	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:3:3:	3:2:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]H)(H)	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]H)2	C[5](C[5]N[5,5]H)(S[5]C[5,5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]H)2{1|Pt<4>,1|C<3>,1|H<1>}	C[5](C[5]N[5,5]H)(S[5]C[5,5])(H){1|C<3>,1|N<3>}	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C[6a]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(H)	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]H)2	C[5](N[5]C[5,5]Pt)(C[5]N[5,5]H)(C[6a]C[6a]2)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(H){1|Pt<4>,1|H<1>,1|S<2>,3|C<3>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]H)2{1|Pt<4>,1|C<3>,1|H<1>}	C[5](N[5]C[5,5]Pt)(C[5]N[5,5]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5,5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]H)(CCO)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O){3|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]H)(CCO){1|C<4>,3|C<3>}	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){1|B<4>,4|C<4>}	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]CC)(C[5]C[5]H){1|Cl<1>,2|C<4>,3|H<1>}	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){1|B<4>,1|C<4>}	105.8030	0.000	1	106.4068	0.270	4	106.1857	0.279	6	106.2393	0.351	10	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){1|B<4>,4|C<4>}	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]CC)(C[5]C[5]H){2|Br<1>,1|C<4>,3|H<1>}	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){1|B<4>,1|C<4>}	106.6080	0.402	3	106.4068	0.270	4	106.1857	0.279	6	106.2393	0.351	10	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5,5]HH)(C[5]C[5]H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5,5]HH)(C[5]C[5]H){3|C<4>,3|H<1>}	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){2|C<4>}	105.7670	0.000	1	105.7670	0.000	1	106.1857	0.279	6	106.2393	0.351	10	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){2|C<4>,4|H<1>}	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){2|C<4>}	105.7200	0.000	1	105.7200	0.000	1	106.1857	0.279	6	106.2393	0.351	10	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5,5](C[5,5]B[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]H)(H){1|B<4>,1|C<4>,2|C<3>}	106.6700	0.351	3	106.6700	0.123	3	106.6700	0.123	3	106.2393	0.351	10	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]Cl)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O)	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]Cl)(O){1|Cl<1>,1|P<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl){1|P<4>,2|C<3>}	105.2690	0.000	1	105.2690	0.000	1	105.2690	0.000	1	106.2393	0.351	10	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:4:3:	3:3:2:	N[5,5]-3:C[5]-3:S-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:S[5]-2:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]S[5])(S)	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)(C[5]C[5]S)	C[5](C[5]N[5,5]S)(C[6a]C[6a]2)(S[5]C[5,5])	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]S[5])(S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)(C[5]C[5]S){2|C<3>,2|H<1>}	C[5](C[5]N[5,5]S)(C[6a]C[6a]2)(S[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.1190	0.214	2	109.1190	0.046	2	109.1190	0.046	2	109.1190	0.046	2	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:4:3:	4:3:3:	N[5,5]-3:C[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(CHH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O){4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(CHH){1|C<4>,1|H<1>,3|C<3>}	105.8480	0.000	1	105.8480	0.000	1	105.6340	0.034	3	105.6340	0.034	3	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:4:3:	4:3:3:	N[5,5]-3:C[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	105.5250	0.000	1	105.5250	0.000	1	105.6340	0.034	3	105.6340	0.034	3	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	3:4:3:	4:3:3:	N[5,5]-3:C[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CHH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	105.5290	0.000	1	105.5290	0.000	1	105.6340	0.034	3	105.6340	0.034	3	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:3:3:	3:2:4:	N[5,5]-3:C[5]-3:H-1:	B[5]-4:C[5,5]-3:C[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](N[5,5]C[5,5]B[5])(C[5]S[5]C)(H)	N[5,5](B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]S[5])(C[5]C[5]H)	C[5](C[5]N[5,5]H)(S[5]C[5,5])(CH3)	C[5](N[5,5]C[5,5]B[5])(C[5]S[5]C)(H){4|C<3>}	N[5,5](B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]S[5])(C[5]C[5]H){1|C<4>,6|C<3>}	C[5](C[5]N[5,5]H)(S[5]C[5,5])(CH3){1|B<4>,1|C<3>}	114.0720	0.000	1	114.0720	0.000	1	114.0720	0.000	1	114.0720	0.000	1	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	B[5,5,6,6]-4:C[5,5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,5]B[5,5,6,6]C[5,5])(C[5]N[5]H)(H)	N[5,5](B[5,5,6,6]B[5,5,6,6]C[3x6]S[5])(C[5,5]N[5]S[5])(C[5]C[5]H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	C[5](N[5,5]B[5,5,6,6]C[5,5])(C[5]N[5]H)(H){1|B<4>,2|C<4>,2|S<2>}	N[5,5](B[5,5,6,6]B[5,5,6,6]C[3x6]S[5])(C[5,5]N[5]S[5])(C[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){1|B<4>,1|S<2>}	108.2420	0.205	2	108.2420	0.042	2	108.2420	0.042	2	108.6331	0.124	16	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	B[5]-4:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H)	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]H)(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|N<3>,1|O<3>,2|C<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Fe<6>,1|H<1>,2|N<3>,5|C<3>}	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]H)(H){2|B<4>,2|C<3>}	108.9220	0.000	1	108.9220	0.000	1	108.6789	0.121	13	108.6331	0.124	16	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	B[5]-4:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H)	C[5](C[5]N[5,5]H)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Mg<6>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]N[5,5]H)2(H){2|B<4>}	108.7195	0.142	2	108.6587	0.126	12	108.6789	0.121	13	108.6331	0.124	16	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	B[5]-4:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H)	C[5](C[5]N[5,5]H)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Mn<6>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]N[5,5]H)2(H){2|B<4>}	108.4725	0.073	2	108.6587	0.126	12	108.6789	0.121	13	108.6331	0.124	16	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	B[5]-4:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H)	C[5](C[5]N[5,5]H)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Ru<8>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]N[5,5]H)2(H){2|B<4>}	108.5758	0.433	6	108.6587	0.126	12	108.6789	0.121	13	108.6331	0.124	16	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	B[5]-4:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H)	C[5](C[5]N[5,5]H)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[5]H){1|Ru<9>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]N[5,5]H)2(H){2|B<4>}	109.0325	0.165	2	108.6587	0.126	12	108.6789	0.121	13	108.6331	0.124	16	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){1|Ge<3>,1|N<3>,3|C<3>}	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H){1|H<1>,1|I<1>,6|C<3>}	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){1|Ge<3>,2|C<3>}	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	108.6331	0.124	16	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:3:3:	3:3:2:	C[5]-3:N[5,5]-3:S-1:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5]-3:C[6a]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5,5]C[5,5]2)(S)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5]S[5])(C[5]C[5]S)	C[5](C[5]N[5,5]S)(C[6a]C[6a]2)(S[5]C[5,5])	C[5](C[5]C[6a]S[5])(N[5,5]C[5,5]2)(S){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5]S[5])(C[5]C[5]S){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]N[5,5]S)(C[6a]C[6a]2)(S[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	N[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]CC)(C[5]C[5]H)	C[5](C[5]C[5,5]O)(C[5]N[5,5]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|O<1>,1|O<2>,4|C<4>}	N[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]H)(H){1|O<2>,2|C<4>}	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	107.7154	4.614	13	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]H)(O)	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(H){2|C<3>,2|C<4>,2|H<1>}	107.4070	0.000	1	107.4070	0.000	1	107.4070	0.000	1	107.7154	4.614	13	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]I)(O)	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]O)(I)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]I)(O){1|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]O)(I){2|C<4>,3|C<3>}	105.4360	0.000	1	105.4360	0.000	1	105.4360	0.000	1	107.7154	4.614	13	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	106.9910	0.123	2	106.8742	0.088	4	107.4562	0.627	9	107.7154	4.614	13	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	106.7575	0.442	2	106.8742	0.088	4	107.4562	0.627	9	107.7154	4.614	13	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	108.0600	0.000	1	108.1355	0.011	2	107.4562	0.627	9	107.7154	4.614	13	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,3|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	108.2110	0.000	1	108.1355	0.011	2	107.4562	0.627	9	107.7154	4.614	13	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|O<2>,2|O<1>,3|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	108.1970	0.000	1	108.1970	0.000	1	107.4562	0.627	9	107.7154	4.614	13	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	N[5,5](C[5,5]C[5]2O)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|O<2>,2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5]2O)(C[5]C[5]CH)(C[5]C[5]O){6|H<1>}	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H){1|O<2>,2|C<4>}	106.6000	0.000	1	106.6000	0.000	1	107.4562	0.627	9	107.7154	4.614	13	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|O<2>,2|C<4>}	108.5410	0.000	1	108.5410	0.000	1	107.4562	0.627	9	107.7154	4.614	13	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H){1|H<1>,2|C<4>}	106.1530	0.000	1	106.1530	0.000	1	106.1530	0.000	1	107.7154	4.614	13	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:3:	N[5,5]-3:C[5]-3:O-1:	C[3x5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-3:C-3:	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]C)(O)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H)	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]C)(O){2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	105.0900	0.000	1	105.0900	0.000	1	105.0900	0.000	1	106.2847	1.084	3	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:3:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:S-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]S)(O)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(SCC)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]S)(O){1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|O<1>,1|S<3>,4|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(SCC){1|H<1>,2|C<4>}	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	106.2847	1.084	3	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:3:	N[5,5]-3:C[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O)	N[5,5](C[5]C[6a]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	N[5,5](C[5]C[6a]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO){1|H<1>,2|C<4>}	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	106.2847	1.084	3	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	4:3:3:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O){2|C<4>,5|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,6|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<4>}	106.9070	0.000	1	106.9070	0.000	1	107.3533	0.399	3	107.3533	0.399	3	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	4:3:3:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O){1|O<2>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<4>}	107.5765	0.706	2	107.5765	0.499	2	107.3533	0.399	3	107.3533	0.399	3	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	5:3:3:	2:3:4:	N[5,5]-3:C[5]-3:H-1:	P[4,5,5]-5:C[5]-3:C[5]-3:	O[5]-2:C[5]-3:C-4:	C[5](N[5,5]P[4,5,5]C[5])(C[5]O[5]C)(H)	N[5,5](P[4,5,5]N[4]2O[5]2)(C[5]C[5]H)2	C[5](O[5]P[4,5,5])(C[5]N[5,5]H)(CC3)	C[5](N[5,5]P[4,5,5]C[5])(C[5]O[5]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	N[5,5](P[4,5,5]N[4]2O[5]2)(C[5]C[5]H)2{1|P<5>,2|C<3>,2|C<4>}	C[5](O[5]P[4,5,5])(C[5]N[5,5]H)(CC3){1|C<3>,1|O<2>,2|N<3>}	112.9598	0.799	6	112.9598	0.638	6	112.9598	0.638	6	112.9598	0.638	6	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	5:3:3:	3:2:4:	N[5,5]-3:C[5]-3:H-1:	P[5,5]-5:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H)	N[5,5](P[5,5]O[5]2HH)(C[5]C[5]H)2	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3)	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	N[5,5](P[5,5]O[5]2HH)(C[5]C[5]H)2{2|C<4>}	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3){1|C<3>,1|O<2>,2|H<1>}	110.9195	0.053	2	110.9195	0.003	2	110.8750	0.024	4	110.8750	0.024	4	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:1:	5:3:3:	3:2:4:	N[5,5]-3:C[5]-3:H-1:	P[5,5]-5:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H)	N[5,5](P[5,5]O[5]2HN)(C[5]C[5]H)2	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3)	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	N[5,5](P[5,5]O[5]2HN)(C[5]C[5]H)2{2|C<4>}	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	110.8305	0.245	2	110.8305	0.060	2	110.8750	0.024	4	110.8750	0.024	4	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]Se[5]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]Se[5]S[5])(C[5]C[6a]C[5])	C[5](C[5]N[5,5]C[6a])(Se[5]C[5,5])(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]Se[5]H){1|S<2>,2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]Se[5]S[5])(C[5]C[6a]C[5]){2|H<1>,4|C<3>}	C[5](C[5]N[5,5]C[6a])(Se[5]C[5,5])(H){1|S<2>,3|C<3>}	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:3:	3:3:3:	3:4:3:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]CH)(CCrO)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]CH)(CCrO){1|C<4>,3|C<3>}	107.9950	0.000	1	107.9950	0.000	1	107.9950	0.000	1	107.9950	0.000	1	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:3:	3:3:3:	4:3:2:	N[5,5]-3:C[5]-3:N-3:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-2:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(NHH)	N[5,5](N[5,5]C[5]2)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]N)(CN)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(NHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]N)(C[5]C[5]O){1|C<2>,1|C<3>,5|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]N)(CN){1|C<4>,3|C<3>}	109.1030	0.000	1	109.1030	0.000	1	109.1030	0.000	1	109.1030	0.000	1	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:3:	3:4:3:	3:3:1:	N[5,5]-3:C[5]-3:C-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]O)(CCH)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]C)(O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]O)(CCH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]C)(O){1|C<4>,1|N<3>,2|C<3>}	104.6820	0.000	1	104.6820	0.000	1	104.6820	0.000	1	104.6820	0.000	1	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	N[5,5]-3:C[5]-3:O-1:	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]C)(O)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]C)(O){2|C<3>,2|C<4>,2|H<1>}	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7755	0.001	2	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,5]-3:C[6a]-3:C[5]-3:	B[5]-4:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[6a]C[5])	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]H)(H)	C[5](N[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,1|N<3>,1|O<3>,3|C<3>,3|H<1>}	N[5,5](B[5]C[6a]N[5]O[5])(N[5,5]B[5]C[5])(C[5]C[6a]C[5]){1|Fe<6>,2|H<1>,2|N<3>,6|C<3>}	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]H)(H){2|B<4>,2|C<3>}	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	107.7755	0.001	2	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:3:	4:3:3:	4:3:2:	N[5,5]-3:C[5]-3:N-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-2:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]C)(NHH)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(C[5]N[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]N)(CN)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]C)(NHH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(C[5]N[5]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5,5]N)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S)	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|N<3>,1|S<1>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]S){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	105.4250	0.000	1	105.4250	0.000	1	105.6733	0.179	6	105.6733	0.179	6	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]O[5]N)	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|N<2>,1|O<2>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]O[5]N){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	105.6930	0.000	1	105.6930	0.000	1	105.6733	0.179	6	105.6733	0.179	6	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]S[5]N)	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|N<2>,1|S<2>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	105.6420	0.000	1	105.6420	0.000	1	105.6733	0.179	6	105.6733	0.179	6	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){1|B<4>,1|N<3>,2|C<4>}	N[5,5](N[5,5]B[5]C[5])(C[5]C[5]C)(C[5]N[5]C){1|Cu<2>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	105.7900	0.898	2	105.7900	0.806	2	105.6733	0.179	6	105.6733	0.179	6	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	N[5,5](N[5,5]Si[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]C)	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){1|Si<5>,1|C<4>,1|N<3>,1|O<1>}	N[5,5](N[5,5]Si[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]N[5,5]C)2(H){1|Si<5>,1|C<3>}	105.7000	0.000	1	105.7000	0.000	1	105.6733	0.179	6	105.6733	0.179	6	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	3:4:3:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3)	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]H)(CC3){1|B<4>,1|C<4>,1|O<2>,2|H<1>}	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<4>}	105.6800	0.000	1	105.6800	0.000	1	105.6800	0.000	1	105.6800	0.000	1	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	B[5]-4:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|N<3>,3|C<3>}	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C){1|H<1>,1|S<1>,2|C<4>,4|C<3>}	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	107.5300	0.000	1	107.5300	0.000	1	107.5370	0.146	6	107.5370	0.146	6	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	B[5]-4:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|O<2>,3|C<3>}	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	107.4400	0.000	1	107.6295	0.072	2	107.5370	0.146	6	107.5370	0.146	6	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	B[5]-4:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|O<2>,2|C<3>,2|C<4>}	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<4>}	107.8190	0.000	1	107.6295	0.072	2	107.5370	0.146	6	107.5370	0.146	6	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	B[5]-4:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	N[5,5](B[5]C[6a]2S[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|S<2>,3|C<3>}	N[5,5](B[5]C[6a]2S[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	107.4560	0.000	1	107.4560	0.000	1	107.5370	0.146	6	107.5370	0.146	6	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	B[5]-4:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CH3)	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]N[5,5]B[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	N[5,5](B[5]C[6a]2N[5])(N[5,5]C[5]2)(C[5]C[5]C){1|Cu<2>,1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]N[5,5]C)2(H){1|B<4>,1|C<3>}	107.4885	0.794	2	107.4885	0.631	2	107.5370	0.146	6	107.5370	0.146	6	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	5:3:2:	3:3:4:	N[5,5]-3:C[5]-3:C-4:	Ga[3x5]-5:C[5]-3:N[5]-2:	N[5,5]-3:C[5]-3:C-4:	C[5](N[5,5]Ga[3x5]N[5])(C[5]N[5,5]C)(CH3)	N[5,5](Ga[3x5]N[5,5]S[5]2Cl)(C[5]C[5]C)(N[5]C[5])	C[5](N[5,5]Ga[3x5]N[5])(C[5]N[5,5]C)(CH3)	C[5](N[5,5]Ga[3x5]N[5])(C[5]N[5,5]C)(CH3){1|Cl<1>,1|C<3>,1|N<2>,2|S<2>}	N[5,5](Ga[3x5]N[5,5]S[5]2Cl)(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](N[5,5]Ga[3x5]N[5])(C[5]N[5,5]C)(CH3){1|Cl<1>,1|C<3>,1|N<2>,2|S<2>}	113.9640	0.443	2	113.9640	0.196	2	113.9640	0.196	2	113.9640	0.196	2	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5]	3:3:4:	5:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-4:	Si[5,5]-5:N[5,5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]Si[5,5]N[5,5])(C[5]C[5]H)(CH3)	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	C[5](C[5]N[5,5]C)2(H)	C[5](N[5,5]Si[5,5]N[5,5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5](C[5]N[5,5]C)2(H){1|Si<5>,1|C<3>}	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	108.3104	5.940	88	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:H-1:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H)	N[5,6,6](N[5,6,6]B[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]H)	C[5](C[5]N[5,6,6]H)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H){1|B<4>,2|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]B[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]H){2|H<1>,2|N<3>,3|C<3>}	C[5](C[5]N[5,6,6]H)2(H){2|B<4>}	108.8820	0.317	2	108.8820	0.100	2	108.8820	0.100	2	108.8820	0.100	2	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:H-1:	B[3x6]-4:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H)	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H)	C[5](C[5]N[5,6,6]H)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H){2|H<1>,2|N<3>,5|C<3>}	C[5](C[5]N[5,6,6]H)2(H){2|B<4>}	109.1852	0.331	6	109.1301	0.092	8	109.1301	0.092	8	109.1301	0.092	8	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:H-1:	B[3x6]-4:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H)	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H)	C[5](C[5]N[5,6,6]H)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	N[5,6,6](B[3x6]N[5,6,6]2C[6a])(N[5,6,6]B[3x6]C[5])(C[5]C[5]H){2|N<3>,3|H<1>,4|C<3>}	C[5](C[5]N[5,6,6]H)2(H){2|B<4>}	108.9650	0.148	2	109.1301	0.092	8	109.1301	0.092	8	109.1301	0.092	8	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]H)(H)	N[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5,6,6]O)(C[5]N[5,6,6]H)(H)	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6,6]O)(C[5]N[5,6,6]H)(H){3|C<4>}	115.2000	0.000	1	115.2000	0.000	1	115.2000	0.000	1	106.9177	9.794	9	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:O-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	N[5,6,6](C[5,4x6]C[3,3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<4>,3|C<3>}	N[5,6,6](C[5,4x6]C[3,3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O){2|C<4>,3|C<3>}	105.6560	0.000	1	105.6560	0.000	1	105.8824	0.169	8	106.9177	9.794	9	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:O-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[3]H)(C[5]C[5]O)	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<3>,3|C<4>}	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[3]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O){2|C<4>,3|C<3>}	106.6800	0.000	1	106.6800	0.000	1	105.8824	0.169	8	106.9177	9.794	9	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:O-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<4>,3|C<3>}	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O){2|C<4>,3|C<3>}	105.7410	0.000	1	105.6513	0.050	4	105.8824	0.169	8	106.9177	9.794	9	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:O-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<4>,3|C<3>}	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O){2|C<4>,3|C<3>}	105.6213	0.263	3	105.6513	0.050	4	105.8824	0.169	8	106.9177	9.794	9	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:O-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){2|C<3>,2|C<4>,2|H<1>}	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O){2|C<4>,3|C<3>}	106.2480	0.000	1	106.2480	0.000	1	105.8824	0.169	8	106.9177	9.794	9	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:O-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	N[5,6,6](C[5,4x6]C[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<3>,3|C<4>}	N[5,6,6](C[5,4x6]C[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O){2|C<3>,3|C<4>}	105.8700	0.000	1	105.8700	0.000	1	105.8824	0.169	8	106.9177	9.794	9	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	B[3x6]-3:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](B[3x6]N[5a,6,6]N[5,6,6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|B<3>,1|C<4>,2|N<3>}	N[5,6,6](B[3x6]N[5a,6,6]N[5,6,6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5](C[5]N[5,6,6]C)2(H){2|B<3>}	107.4490	0.279	4	107.4490	0.078	4	107.4490	0.078	4	107.4490	0.078	4	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	3:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Ge[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Ge<6>,1|C<4>,1|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]Ge[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>,3|N<2>}	C[5](C[5]N[5,6,6]C)2(H){1|Ge<6>,1|B<4>}	107.7683	0.081	3	107.7683	0.007	3	107.5208	0.234	35	107.5208	0.234	35	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	3:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]In[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|In<6>,1|C<4>,1|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]In[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[5](C[5]N[5,6,6]C)2(H){1|In<6>,1|B<4>}	107.7605	0.241	2	107.7605	0.058	2	107.5208	0.234	35	107.5208	0.234	35	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	3:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<8>,1|C<4>,1|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<2>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<8>,1|B<4>}	107.3927	0.512	3	107.4465	0.128	6	107.5208	0.234	35	107.5208	0.234	35	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	3:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<8>,1|C<4>,1|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]Nb[3,3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,3|C<4>,3|N<3>,4|C<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<8>,1|B<4>}	107.5003	0.218	3	107.4465	0.128	6	107.5208	0.234	35	107.5208	0.234	35	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	3:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<2>,1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	107.1797	0.328	3	107.4945	0.230	15	107.5208	0.234	35	107.5208	0.234	35	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	3:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	107.1680	0.364	3	107.4945	0.230	15	107.5208	0.234	35	107.5208	0.234	35	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	3:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|C<4>,2|N<3>,5|C<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	107.5077	0.419	6	107.4945	0.230	15	107.5208	0.234	35	107.5208	0.234	35	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	3:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<4>,1|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	108.1093	0.225	3	107.4945	0.230	15	107.5208	0.234	35	107.5208	0.234	35	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	3:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<6>,1|C<4>,1|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]Nb[3x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<6>,1|B<4>}	107.5835	0.785	6	107.5835	0.616	6	107.5208	0.234	35	107.5208	0.234	35	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	3:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6]-3:B[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](N[5,6,6]Nb[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]B[3x6])(C[5]C[5]H)(CH3){1|Nb<6>,1|C<4>,1|H<1>,2|N<3>}	N[5,6,6](N[5,6,6]Nb[4x6]C[5])(B[3x6]N[5,6,6]2H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<6>,1|B<4>}	107.2680	0.453	3	107.2680	0.205	3	107.5208	0.234	35	107.5208	0.234	35	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	C[3x6]-4:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]C[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]C[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|C<4>}	105.9905	0.453	2	105.9905	0.205	2	105.9905	0.205	2	105.9905	0.205	2	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	6:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	Ge[3x6]-6:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]Ge[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]Ge[3x6])(C[5]C[5]H)(CH3){1|B<4>,1|C<4>,2|N<3>,3|N<2>}	N[5,6,6](Ge[3x6]N[5,6,6]2N3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Ge<6>,1|B<4>}	108.3383	0.245	3	108.3383	0.060	3	108.3383	0.060	3	109.3141	0.565	15	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	6:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	In[4x6]-6:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]In[4x6])(C[5]C[5]H)(CH3)	N[5,6,6](In[4x6]N[5,6,6]2O[6]2Cl)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]In[4x6])(C[5]C[5]H)(CH3){1|Cl<1>,1|B<4>,1|C<4>,2|N<3>,2|O<2>}	N[5,6,6](In[4x6]N[5,6,6]2O[6]2Cl)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]N[5,6,6]C)2(H){1|In<6>,1|B<4>}	109.5120	1.195	3	109.5120	1.429	3	109.5120	1.429	3	109.3141	0.565	15	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	6:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	Nb[3x6]-6:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]Nb[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3x6]N[5,6,6]2ClCN)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]Nb[3x6])(C[5]C[5]H)(CH3){1|Cl<1>,1|B<4>,1|N<2>,2|C<4>,2|N<3>}	N[5,6,6](Nb[3x6]N[5,6,6]2ClCN)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<6>,1|B<4>}	109.4657	0.420	6	109.4657	0.177	6	109.4657	0.177	6	109.3141	0.565	15	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	6:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	Nb[4x6]-6:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]N[5,6,6]Nb[4x6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[4x6]N[5,6,6]2C[6]O[6]O)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]N[5,6,6]Nb[4x6])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>}	N[5,6,6](Nb[4x6]N[5,6,6]2C[6]O[6]O)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|H<1>,2|N<3>,3|C<3>,3|C<4>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<6>,1|B<4>}	109.7890	0.361	3	109.7890	0.130	3	109.7890	0.130	3	109.3141	0.565	15	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	7:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]3C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<2>,2|C<3>,2|C<4>,2|N<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]3C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|C<3>,2|N<3>,3|H<1>,5|C<4>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	109.4800	0.556	3	109.6775	0.194	6	109.6629	0.287	17	109.6629	0.287	17	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	7:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]3C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<3>,2|N<3>,3|C<4>}	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]3C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|C<3>,2|N<3>,3|H<1>,5|C<4>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	109.8750	0.240	3	109.6775	0.194	6	109.6629	0.287	17	109.6629	0.287	17	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	7:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[5a]C[3]3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[5a]C[3]3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){1|O<2>,2|N<3>,3|C<3>,3|H<1>,5|C<4>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	109.4440	0.669	3	109.4440	0.447	3	109.6629	0.287	17	109.6629	0.287	17	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	7:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[6a]2C[3]2)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<4>,2|N<3>,4|C<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[6a]2C[3]2)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|H<1>,2|N<3>,3|C<4>,6|C<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	109.5977	0.683	3	109.5977	0.466	3	109.6629	0.287	17	109.6629	0.287	17	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	7:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[6a]C[3]3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[6a]C[3]3)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|N<3>,3|H<1>,4|C<3>,5|C<4>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|B<4>}	109.4843	0.205	3	109.4843	0.042	3	109.6629	0.287	17	109.6629	0.287	17	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	7:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]O[6,6]C[3]2Cl2)(N[5,6,6]C[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[5,6,6](Nb[3,3x6]N[5,6,6]O[6,6]C[3]2Cl2)(N[5,6,6]C[3x6]C[5])(C[5]C[5]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<7>,1|C<4>}	110.3135	0.787	2	110.3135	0.619	2	109.6629	0.287	17	109.6629	0.287	17	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	8:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	Nb[3,3,3x6]-8:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3,3x6]N[5,6,6]2C[3,3]2C[3]2N[6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,2|C<3>,3|C<4>,3|N<3>}	N[5,6,6](Nb[3,3,3x6]N[5,6,6]2C[3,3]2C[3]2N[6])(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|N<3>,4|C<3>,4|C<4>,4|H<1>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<8>,1|B<4>}	109.2623	0.536	3	109.2623	0.288	3	109.4373	0.287	6	109.4373	0.287	6	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5]	3:3:4:	8:3:3:	3:3:1:	N[5,6,6]-3:C[5]-3:C-4:	Nb[3,3,3x6]-8:N[5,6,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3)	N[5,6,6](Nb[3,3,3x6]N[5,6,6]2C[3,6a]2C[3]2C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C)	C[5](C[5]N[5,6,6]C)2(H)	C[5](N[5,6,6]Nb[3,3,3x6]N[5,6,6])(C[5]C[5]H)(CH3){1|B<4>,1|C<2>,1|C<4>,2|N<3>,4|C<3>}	N[5,6,6](Nb[3,3,3x6]N[5,6,6]2C[3,6a]2C[3]2C)(N[5,6,6]B[3x6]C[5])(C[5]C[5]C){2|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[5](C[5]N[5,6,6]C)2(H){1|Nb<8>,1|B<4>}	109.6123	0.581	3	109.6123	0.338	3	109.4373	0.287	6	109.4373	0.287	6	108.3538	2.208	98	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,5]	3:3:1:	3:3:3:	3:3:3:	C[5,5]-3:N[5,6]-3:O-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]O)(C[6]C[6]H)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O)	C[5](C[5,5]C[5,5]C[5])(N[5,6]C[5,6]C[6])(O){1|H<1>,1|N<3>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5])(C[5]C[5,5]O)(C[6]C[6]H){1|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O){1|C<4>,1|O<1>,4|C<3>}	102.7650	0.000	1	102.7650	0.000	1	102.7650	0.000	1	102.7650	0.000	1	102.7650	0.000	1	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6]	3:3:1:	4:3:4:	4:3:3:	C[5,6]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	107.4260	0.000	1	107.4260	0.000	1	107.4975	0.010	2	107.1113	0.452	3	107.1113	0.452	3	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6]	3:3:1:	4:3:4:	4:3:3:	C[5,6]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	107.5690	0.000	1	107.5690	0.000	1	107.4975	0.010	2	107.1113	0.452	3	107.1113	0.452	3	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6]	3:3:1:	4:3:4:	4:3:3:	C[5,6]-3:N[5,6]-3:S-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(S)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]S)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]S)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(S){2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]S)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]S)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	106.3390	0.000	1	106.3390	0.000	1	106.3390	0.000	1	107.1113	0.452	3	107.1113	0.452	3	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:2:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(H)	N[5,6](C[5,6]N[6]S[5])(C[6]C[6]Re)(C[5]C[5]H)	C[5](C[5]N[5,6]H)(S[5]C[5,6])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(H){1|Re<6>,1|C<3>,1|N<3>}	N[5,6](C[5,6]N[6]S[5])(C[6]C[6]Re)(C[5]C[5]H){1|C<4>,3|H<1>}	C[5](C[5]N[5,6]H)(S[5]C[5,6])(H){1|C<3>,1|N<3>}	114.6020	0.000	1	114.6020	0.000	1	114.6020	0.000	1	114.6020	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:2:3:	N[5,6]-3:C[5]-3:O-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]C)(O)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]O)	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CC[6a]2)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]C)(O){1|C<4>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CC[6a]2){1|C<3>,1|C<4>}	103.0390	0.000	1	103.0390	0.000	1	103.0390	0.000	1	103.0390	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H)	C[5](N[5]C[5,6]Co)(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H){1|Co<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6]Co)(C[5]N[5,6]H)(H){2|C<3>}	106.7940	0.000	1	106.7940	0.000	1	106.7940	0.000	1	106.7351	4.485	15	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5a,6]-3:C[5,6]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]H)(H)	N[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5a,6]N[5])(C[5]C[5]H)	C[5](N[5]C[5,6]Cu)(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]H)(H){1|Cu<5>,1|N<2>,2|N<3>}	N[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5a,6]N[5])(C[5]C[5]H){1|Cu<5>,1|H<1>,4|C<3>}	C[5](N[5]C[5,6]Cu)(C[5]N[5,6]H)(H){1|C<3>,1|N<3>}	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1	106.7351	4.485	15	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[6,6]-3:C[5,6]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H)	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<3>,1|C<4>}	106.6920	0.000	1	106.6920	0.000	1	106.6920	0.000	1	106.7351	4.485	15	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[6,6]-3:C[5,6]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H)	N[5,6](C[6,6]C[5,6,6]C[6])(C[5,6]N[5]N[6])(C[5]C[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H){1|C<4>,1|N<2>,2|C<3>}	N[5,6](C[6,6]C[5,6,6]C[6])(C[5,6]N[5]N[6])(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<3>,3|C<4>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|N<2>,3|C<3>}	108.1180	0.000	1	108.1180	0.000	1	108.1180	0.000	1	106.7351	4.485	15	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H)	N[5,6](C[6,6a]C[5a,6,6a]N[6a])(C[5,6]B[6]N[5])(C[5]C[5]H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<2>}	N[5,6](C[6,6a]C[5a,6,6a]N[6a])(C[5,6]B[6]N[5])(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|B<4>,1|C<3>}	105.6510	0.000	1	105.6510	0.000	1	105.6510	0.000	1	106.7351	4.485	15	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]C[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|B<4>,3|C<3>}	106.5720	0.000	1	106.5720	0.000	1	106.5400	0.002	2	106.7351	4.485	15	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[5](N[5]C[5,6]Pd)(C[5]N[5,6]H)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H){1|Pd<4>,1|N<2>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H){1|Pd<4>,1|H<1>,4|C<3>}	C[5](N[5]C[5,6]Pd)(C[5]N[5,6]H)(H){2|C<3>}	106.5080	0.000	1	106.5080	0.000	1	106.5400	0.002	2	106.7351	4.485	15	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]N[5,6]H)2(H){1|B<4>,1|C<3>}	107.9390	0.278	5	107.9390	0.077	5	107.8953	0.073	6	106.7351	4.485	15	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6]H)2(H){2|C<3>}	107.6770	0.000	1	107.6770	0.000	1	107.8953	0.073	6	106.7351	4.485	15	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]H)(H)	N[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]H)(C[6]C[6]C)	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6]H)2(H){2|C<3>}	108.6910	0.000	1	108.6910	0.000	1	108.6910	0.000	1	106.7351	4.485	15	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:N-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]H)(N)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[5]C[5]N)	C[5](C[5]C[5,6]O)(C[5]N[5,6]N)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]H)(N){1|O<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[5]C[5]N){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]O)(C[5]N[5,6]N)(H){2|C<3>}	100.2820	0.000	1	100.2820	0.000	1	100.2820	0.000	1	106.7351	4.485	15	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6]N[5])(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5,6]Ru)(C[5]N[5,6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5,6]Ru)(C[5]N[5,6]H){1|H<1>,4|C<3>}	105.9095	0.145	2	105.9095	0.021	2	105.9095	0.021	2	106.0720	0.073	6	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5])(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H)	C[5](N[5]C[5,6]Pt)(C[5]N[5,6]H)(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5])(H){1|Pt<4>,1|H<1>,4|C<3>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6]Pt)(C[5]N[5,6]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	106.3630	0.000	1	106.3125	0.005	2	106.3125	0.005	2	106.0720	0.073	6	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5])(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H)	C[5](N[5]C[5,6]Pt)(C[5]N[5,6]H)(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5])(H){1|Pt<5>,1|H<1>,4|C<3>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]H)(C[6]C[6]H){1|Pt<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6]Pt)(C[5]N[5,6]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.2620	0.000	1	106.3125	0.005	2	106.3125	0.005	2	106.0720	0.073	6	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	N[5]-3:C[5]-3:C[6a]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5])(H)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[5](N[5]C[5,6]Ir)(C[5]N[5,6]H)(C[6a]C[6a]2)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5])(H){1|Ir<7>,1|N<2>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H){1|Ir<7>,1|H<1>,4|C<3>}	C[5](N[5]C[5,6]Ir)(C[5]N[5,6]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	106.2770	0.000	1	105.9940	0.160	2	105.9940	0.160	2	106.0720	0.073	6	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	N[5]-3:C[5]-3:C[6a]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5])(H)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[5](N[5]C[5,6]Ir)(C[5]N[5,6]H)(C[6a]C[6a]2)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5])(H){1|Ir<8>,1|N<2>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H){1|Ir<8>,1|H<1>,4|C<3>}	C[5](N[5]C[5,6]Ir)(C[5]N[5,6]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	105.7110	0.000	1	105.9940	0.160	2	105.9940	0.160	2	106.0720	0.073	6	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:2:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]H)(H)	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H)	C[5](C[5]N[5,6]H)(S[5]C[5,6])(H)	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]H)(H){1|N<2>,1|O<2>,2|F<1>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](C[5]N[5,6]H)(S[5]C[5,6])(H){1|B<4>,1|N<2>}	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	111.1472	7.688	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:2:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:S[5]-2:I-1:	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]I)(H)	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H)	C[5](C[5]N[5,6]H)(S[5]C[5,6])(I)	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]I)(H){1|N<2>,1|O<2>,2|F<1>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H){1|C<3>,1|I<1>}	C[5](C[5]N[5,6]H)(S[5]C[5,6])(I){1|B<4>,1|N<2>}	113.4830	0.000	1	113.4830	0.000	1	113.4830	0.000	1	111.1472	7.688	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:2:1:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:C[5]-2:I-1:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]I)(H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H)	C[5](C[5]N[5,6]H)(C[5]N[5,6])(I)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]I)(H){1|B<4>,1|N<3>,2|F<1>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H){1|C<2>,1|I<1>,1|N<3>,2|F<1>}	C[5](C[5]N[5,6]H)(C[5]N[5,6])(I){2|B<4>}	108.8520	0.000	1	108.8520	0.000	1	108.7475	0.022	2	111.1472	7.688	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:2:1:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:C[5]-2:I-1:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]I)(H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H)	C[5](C[5]N[5,6]H)(C[5]N[5,6])(I)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]I)(H){1|B<4>,1|N<3>,2|H<1>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H){1|C<2>,1|I<1>,1|N<3>,2|H<1>}	C[5](C[5]N[5,6]H)(C[5]N[5,6])(I){2|B<4>}	108.6430	0.000	1	108.6430	0.000	1	108.7475	0.022	2	111.1472	7.688	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:2:4:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(H)	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H)	C[5](C[5]N[5,6]H)(S[5]C[5,6])(CH3)	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(H){1|N<2>,1|O<2>,2|F<1>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H){1|C<3>,1|C<4>}	C[5](C[5]N[5,6]H)(S[5]C[5,6])(CH3){1|B<4>,1|N<2>}	114.9800	0.000	1	114.9800	0.000	1	114.9800	0.000	1	114.2280	1.131	2	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:2:4:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:S[5]-2:S-4:	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]S)(H)	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H)	C[5](C[5]N[5,6]H)(S[5]C[5,6])(SC[6a]OO)	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]S)(H){1|N<2>,1|O<2>,2|F<1>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]H){1|C<3>,1|S<4>}	C[5](C[5]N[5,6]H)(S[5]C[5,6])(SC[6a]OO){1|B<4>,1|N<2>}	113.4760	0.000	1	113.4760	0.000	1	113.4760	0.000	1	114.2280	1.131	2	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]In[6,6]N[5])(B[6]N[5,6]CC)(C[5]C[5]H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]H)(H){1|In<5>,1|N<3>,3|C<4>}	N[5,6](C[5,6]In[6,6]N[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|In<5>,1|B<4>}	108.0692	0.915	4	108.0692	0.837	4	108.0692	0.837	4	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]B[6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]B[6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|B<4>,1|C<4>}	106.7560	0.000	1	106.7560	0.000	1	106.6777	0.372	17	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|Ge<2>,1|C<4>}	104.5930	0.000	1	104.5930	0.000	1	106.6777	0.372	17	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|C<4>,1|N<3>,1|P<2>,2|H<1>}	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<4>,1|P<2>}	106.7198	0.253	12	106.7198	0.064	12	106.6777	0.372	17	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|S<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]C[5]H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<4>,1|S<2>}	107.1780	0.256	3	107.1780	0.065	3	106.6777	0.372	17	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<4>,5|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|B<4>,1|C<4>,2|C<3>}	106.8270	0.000	1	106.8270	0.000	1	106.4255	0.214	24	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5](N[5]C[5,6]Cu)(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|Cu<3>,2|N<3>,3|H<1>}	C[5](N[5]C[5,6]Cu)(C[5]N[5,6]H)(H){1|C<3>,1|C<4>}	106.1197	0.230	9	106.1197	0.053	9	106.4255	0.214	24	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<2>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<2>,1|C<4>,2|C<3>}	107.0960	0.000	1	107.1055	0.082	4	106.4255	0.214	24	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<3>,1|C<4>,2|C<3>}	106.9860	0.000	1	107.1055	0.082	4	106.4255	0.214	24	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|Cl<1>,1|C<3>,1|N<3>,3|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<3>,1|C<4>,2|C<3>}	107.1700	0.472	2	107.1055	0.082	4	106.4255	0.214	24	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|N<3>,2|H<1>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<3>,1|C<4>,2|C<3>}	106.3485	0.511	2	106.3885	0.153	10	106.4255	0.214	24	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|N<3>,2|H<1>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Ga<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<3>,1|C<4>,2|C<3>}	106.1245	0.520	2	106.3885	0.153	10	106.4255	0.214	24	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|N<3>,2|H<1>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|N<2>,3|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<3>,1|C<4>,2|C<3>}	106.3830	0.027	2	106.3885	0.153	10	106.4255	0.214	24	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|N<3>,2|H<1>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<2>,1|H<1>,3|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<3>,1|C<4>,2|C<3>}	106.6220	0.209	2	106.3885	0.153	10	106.4255	0.214	24	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<4>,1|C<3>,1|N<3>,2|H<1>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|S<1>,1|S<2>,3|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<4>,1|C<4>,2|C<3>}	106.9840	0.000	1	106.3885	0.153	10	106.4255	0.214	24	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<4>,1|C<3>,1|N<3>,2|H<1>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<1>,1|Se<2>,1|H<1>,3|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<4>,1|C<4>,2|C<3>}	105.9450	0.000	1	106.3885	0.153	10	106.4255	0.214	24	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H)	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6](N[5,6]C[6,6a]C[5])(B[6]C[6a]2N[6])(C[5]C[5]H){3|H<1>,6|C<3>}	C[5](C[5]N[5,6]H)2(H){1|B<4>,1|C<3>}	109.8852	0.202	5	109.8852	0.041	5	109.8852	0.041	5	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(O)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(O){2|H<1>,3|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(O){1|C<4>,1|H<1>,2|C<3>}	105.9465	0.213	4	105.9465	0.045	4	105.9465	0.045	4	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]H)(O)	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]O)	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(H){1|B<4>,1|C<3>}	106.3040	0.000	1	106.3040	0.000	1	106.3040	0.000	1	106.9005	1.369	55	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:2:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H)	C[5](C[5]N[5,6]H)2(CC)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H){1|B<4>,1|H<1>,1|N<3>,2|C<4>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]N[5,6]H)2(CC){2|B<4>}	109.9107	0.355	10	109.9107	0.126	10	109.7549	0.156	14	109.7549	0.156	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:2:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H)	C[5](C[5]N[5,6]H)2(CC)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]FF)(C[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5](C[5]N[5,6]H)2(CC){2|B<4>}	109.3665	0.192	2	109.3665	0.037	2	109.7549	0.156	14	109.7549	0.156	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:2:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H)	C[5](C[5]N[5,6]H)2(CC)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]C)(H){1|B<4>,1|N<3>,3|H<1>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]HH)(C[5]C[5]H){1|C<2>,1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]N[5,6]H)2(CC){2|B<4>}	109.3645	0.104	2	109.3645	0.011	2	109.7549	0.156	14	109.7549	0.156	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:3:	N[5,6]-3:C[5]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]C[5])(O)	N[5,6](C[5,6]C[5]C[6])(B[6]N[6,6]FF)(C[5]C[5]O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]C[5])(O){1|N<3>,2|F<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[6,6]FF)(C[5]C[5]O){1|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2){1|B<4>,2|H<1>,5|C<3>}	106.8530	0.000	1	106.8530	0.000	1	106.8530	0.000	1	106.2057	0.506	3	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	3:3:3:	N[5,6]-3:C[5]-3:O-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O)	N[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(CSiH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(CSiH){1|C<3>,1|C<4>}	105.8820	0.619	2	105.8820	0.384	2	105.8820	0.384	2	106.2057	0.506	3	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]C)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]H)(CCO)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]H)(CCO){1|C<4>,1|H<1>,3|C<3>}	113.2620	0.000	1	113.2620	0.000	1	113.2620	0.000	1	110.8606	1.896	5	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]2)(H)	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H)	C[5](C[5]C[5]2Fe)(C[5]N[5,6]H)2	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]2)(H){1|Fe<10>,1|B<4>,1|H<1>,1|N<3>,4|C<4>}	N[5,6](N[5,6]B[6]C[5])(B[6]N[5,6]CC)(C[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5](C[5]C[5]2Fe)(C[5]N[5,6]H)2{2|B<4>,2|C<4>,2|H<1>}	110.2602	0.353	4	110.2602	0.125	4	110.2602	0.125	4	110.8606	1.896	5	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	B[6]-4:C[5,6]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]H)(H)	N[5,6](B[6]N[5,6]C[6a]2)(C[5,6]Ge[6]N[5])(C[5]C[5]H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]H)(H){1|Ge<4>,1|C<4>,1|N<3>,2|C<3>}	N[5,6](B[6]N[5,6]C[6a]2)(C[5,6]Ge[6]N[5])(C[5]C[5]H){2|C<4>,2|H<1>,6|C<3>}	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|Ge<4>,1|B<4>}	107.8895	0.114	2	107.8895	0.013	2	107.8895	0.013	2	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H)	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,6](B[6]N[5,6]C[6a]C)(N[5,6]B[6]C[5])(C[5]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]N[5,6]H)2(H){2|B<4>}	110.0998	0.231	4	110.0998	0.053	4	109.5101	0.286	32	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	N[5,6](B[6]N[5,6]C[6a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]N[5,6]H)2(H){2|B<4>}	109.3761	0.476	14	109.3761	0.226	14	109.5101	0.286	32	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](B[6]N[5,6]N[5a]2)(N[5,6]B[6]C[5])(C[5]C[5]H)	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|H<1>,3|N<3>}	N[5,6](B[6]N[5,6]N[5a]2)(N[5,6]B[6]C[5])(C[5]C[5]H){2|H<1>,2|N<2>,3|C<3>,3|N<3>}	C[5](C[5]N[5,6]H)2(H){2|B<4>}	109.6160	0.566	4	109.6160	0.320	4	109.5101	0.286	32	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H)	C[5](C[5]N[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5]N[5,6]C[6a])(C[5]N[5,6]H)(H){2|B<4>,2|C<3>}	109.0335	0.332	2	109.0335	0.110	2	109.5101	0.286	32	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H)	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,2|H<1>,2|N<3>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[5]N[5,6]H)2(H){2|B<4>}	108.9825	0.267	4	108.9825	0.071	4	109.5101	0.286	32	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	B[6]-4:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H)	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H)	C[5](C[5]N[5,6]H)2(H)	C[5](N[5,6]N[5,6]B[6])(C[5]C[5]H)(H){1|B<4>,1|H<1>,1|O<2>,2|N<3>}	N[5,6](B[6]N[5,6]N[5a]O)(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]N[5,6]H)2(H){2|B<4>}	110.0493	0.154	4	110.0493	0.024	4	109.5101	0.286	32	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H)	N[5,6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>,3|N<3>}	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>}	108.4227	0.518	3	108.4227	0.269	3	108.4227	0.269	3	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:O-1:	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O)	N[5,6](C[5,4x6]C[3,3x6]N[5,6,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O){2|C<4>,3|C<3>}	N[5,6](C[5,4x6]C[3,3x6]N[5,6,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<4>,3|C<3>}	106.3340	0.000	1	106.3340	0.000	1	106.2095	0.175	8	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:O-1:	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O)	N[5,6](C[5,4x6]C[5,6,6]N[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O){2|C<3>,3|C<4>}	N[5,6](C[5,4x6]C[5,6,6]N[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<3>,3|C<4>}	105.9780	0.000	1	105.9780	0.000	1	106.2095	0.175	8	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:O-1:	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O){2|C<4>,3|C<3>}	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<4>,3|C<3>}	106.9130	0.000	1	106.2273	0.231	6	106.2095	0.175	8	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:O-1:	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O){2|C<4>,3|C<3>}	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<3>,3|C<4>}	105.9080	0.000	1	106.2273	0.231	6	106.2095	0.175	8	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:O-1:	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O){2|C<4>,3|C<3>}	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<4>,3|C<3>}	106.2933	0.353	3	106.2273	0.231	6	106.2095	0.175	8	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	N[5,6,6]-3:C[5]-3:O-1:	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	C[5](N[5,6]C[5,4x6]C[6,6a])(C[5]N[5,6,6]O)(O){2|C<4>,3|C<3>}	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){2|C<3>,2|C<4>,2|H<1>}	105.6630	0.000	1	106.2273	0.231	6	106.2095	0.175	8	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O){1|H<1>,4|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H){5|C<3>}	105.8340	0.000	1	105.8340	0.000	1	105.8340	0.000	1	108.7148	2.023	46	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	4:3:2:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:O-2:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(C[6]C[6]O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]H)(OC)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|O<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,6|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	2:3:3:	N[5,6]-3:C[5]-3:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	S[5]-2:C[5]-3:C-3:	C[5](N[5,6]C[5,5,6]C[6])(C[5]S[5]C)(O)	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5](S[5]C[5,5,6])(C[5]N[5,6]O)(CC[6a]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]S[5]C)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](S[5]C[5,5,6])(C[5]N[5,6]O)(CC[6a]H){1|C<4>,1|N<3>,1|O<2>}	110.4700	0.000	1	110.4700	0.000	1	110.4700	0.000	1	110.4700	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:Br-1:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O){1|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|Br<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br){2|C<3>,3|C<4>}	105.0730	0.000	1	105.0665	0.000	2	105.0665	0.000	2	105.8308	0.596	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:Br-1:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O){2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br){2|C<4>,3|C<3>}	105.0600	0.000	1	105.0665	0.000	2	105.0665	0.000	2	105.8308	0.596	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O)	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6,6]C)(C[5]N[5,6]O)(H){1|C<3>,2|C<4>}	106.1860	0.000	1	106.1860	0.000	1	106.1208	0.171	4	105.8308	0.596	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O)	C[5](C[5]C[5,6,6]H)(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6,6]H)(C[5]N[5,6]O)(H){1|C<3>,2|C<4>}	105.5170	0.000	1	105.5170	0.000	1	106.1208	0.171	4	105.8308	0.596	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(H){1|O<2>,2|C<3>,2|C<4>}	106.3900	0.008	2	106.3900	0.000	2	106.1208	0.171	4	105.8308	0.596	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]I)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]I)(O){2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|I<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I){2|C<4>,3|C<3>}	104.9720	0.000	1	104.9720	0.000	1	104.8787	0.042	3	105.8308	0.596	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]I)(O)	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]I)(O){1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O){1|H<1>,1|I<1>,6|C<3>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I){2|C<4>,3|C<3>}	104.8320	0.266	2	104.8320	0.071	2	104.8787	0.042	3	105.8308	0.596	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H){1|O<2>,2|C<3>,2|C<4>}	106.5173	0.148	3	106.5173	0.022	3	106.4758	0.210	5	105.8308	0.596	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H){1|C<3>,2|C<4>}	107.0390	0.000	1	106.4135	0.783	2	106.4758	0.210	5	105.8308	0.596	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(H){1|C<4>,2|C<3>}	105.7880	0.000	1	106.4135	0.783	2	106.4758	0.210	5	105.8308	0.596	14	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:S[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(H)	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5,6]H)(H){1|S<4>,2|C<3>,2|H<1>}	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	108.7103	4.859	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]O)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(O)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]O)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(O){1|N<3>,2|C<3>,2|C<4>}	106.0800	0.000	1	106.0800	0.000	1	106.0800	0.000	1	108.7103	4.859	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]H)(O)	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]O)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	108.6650	0.503	2	108.6650	0.253	2	108.6650	0.253	2	108.7103	4.859	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	4:3:3:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]H)(COO)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)(H){1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]H){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]N[5,6]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	114.5880	0.229	2	114.5880	0.052	2	114.5880	0.052	2	111.0453	16.997	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	4:3:3:	N[5,6]-3:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CC[6a]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O){2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CC[6a]H){1|H<1>,2|C<4>}	106.8970	0.000	1	106.8970	0.000	1	107.5025	0.733	2	111.0453	16.997	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	4:3:3:	N[5,6]-3:C[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(CCH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(CCH){1|C<3>,2|C<4>}	108.1080	0.000	1	108.1080	0.000	1	107.5025	0.733	2	111.0453	16.997	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:1:	6:3:3:	3:3:1:	N[5,6]-3:C[5]-3:H-1:	In[5,6]-6:N[5,5,6]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5](N[5,6]N[5,5,6]In[5,6])(C[5]C[5,5]H)(H)	N[5,6](In[5,6]N[5,5,6]N[5,6]Cl2O)(N[5,5,6]In[5,6]C[5,5])(C[5]C[5]H)	C[5](C[5,5]N[5,5,6]C[5,6])(C[5]N[5,6]H)(H)	C[5](N[5,6]N[5,5,6]In[5,6])(C[5]C[5,5]H)(H){1|In<6>,2|Cl<1>,1|C<3>,1|O<2>,2|N<3>}	N[5,6](In[5,6]N[5,5,6]N[5,6]Cl2O)(N[5,5,6]In[5,6]C[5,5])(C[5]C[5]H){2|Cl<1>,1|H<1>,1|O<2>,2|N<3>,4|C<3>}	C[5](C[5,5]N[5,5,6]C[5,6])(C[5]N[5,6]H)(H){2|In<6>,1|C<3>,1|N<3>}	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:2:	4:3:3:	3:2:2:	N[5,6]-3:C[5]-3:N-2:	C[6]-4:C[5,6]-3:C[5]-3:	C[5]-3:S[5]-2:C-2:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(NC)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]N)	C[5](C[5]N[5,6]N)(S[5]C[5,6])(CN)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(NC){1|H<1>,1|N<2>,2|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]N){1|C<2>,4|C<3>}	C[5](C[5]N[5,6]N)(S[5]C[5,6])(CN){1|C<4>,1|N<2>}	112.7460	0.000	1	112.7460	0.000	1	112.7460	0.000	1	112.7460	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:O-1:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]Se)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	C[5](C[5]C[5,6]Se)(C[5]N[5,6]C)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]Se){1|Se<2>,1|H<1>,2|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|Se<2>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6]Se)(C[5]N[5,6]C)(O){2|C<3>}	106.3150	0.290	2	106.3150	0.084	2	106.3150	0.084	2	105.9430	0.514	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(CC[6a]Se)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]C)	C[5](C[5]C[5,6]Se)(C[5]N[5,6]C)(O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(CC[6a]Se){1|Se<2>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]Se)(C[5]N[5,6]C)(O){2|C<3>}	106.2430	0.000	1	106.2430	0.000	1	106.2430	0.000	1	105.9430	0.514	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(CCC)	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]C)	C[5](C[5]N[5,6]C)(N[5]C[5,6]C)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(CCC){1|C<4>,1|N<2>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]N[5,6]C)(N[5]C[5,6]C)(H){2|C<3>}	104.8990	0.000	1	104.8990	0.000	1	104.8990	0.000	1	105.9430	0.514	4	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	3:3:4:	3:2:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:B[6]-4:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6]C[5,6]B[6])(C[6a]C[6a]2)(C[5]S[5]H)	N[5,6](C[5,6]N[6]S[5])(C[5]C[6a]C[5])(B[6]O[6]FF)	C[5](C[5]N[5,6]C[6a])(S[5]C[5,6])(H)	C[5](N[5,6]C[5,6]B[6])(C[6a]C[6a]2)(C[5]S[5]H){1|N<2>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[6a]C[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[5](C[5]N[5,6]C[6a])(S[5]C[5,6])(H){1|B<4>,1|N<2>,2|C<3>}	112.4885	0.385	2	112.4885	0.149	2	112.4885	0.149	2	112.4885	0.149	2	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:B[6]-4:	C[5]-3:N[5]-3:C[6a]-3:	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF)	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<2>,2|F<1>,2|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5])(B[6]O[6]FF){6|C<3>}	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	107.8403	0.426	3	107.8403	0.181	3	107.8403	0.181	3	107.8403	0.181	3	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:2:1:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]H)(COO)	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C)	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H)	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]H)(COO){1|N<2>,1|O<2>,2|F<1>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C){1|C<3>,1|H<1>}	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H){1|B<4>,1|N<2>}	113.4320	0.000	1	113.4320	0.000	1	113.4320	0.000	1	113.4320	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])(C[5]C[6a]C[5])	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])(C[5]C[6a]C[5]){10|C<3>}	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	109.8870	4.518	2	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	3:4:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[6a]C[5])	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	111.3900	0.000	1	111.3900	0.000	1	111.3900	0.000	1	109.8870	4.518	2	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	4:3:2:	3:2:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:N[6]-2:	C[5]-3:O[5]-2:O-1:	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]O[5]O)	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5])(N[6]C[5,6])	C[5](C[5]N[5,6]C[6a])(O[5]C[5,6])(O)	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5])(N[6]C[5,6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]N[5,6]C[6a])(O[5]C[5,6])(O){1|N<2>,4|C<3>}	107.1800	0.000	1	107.1800	0.000	1	107.1800	0.000	1	107.1800	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:2:3:	N[5,6]-3:C[5]-3:C-3:	B[6]-4:N[5,6]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](N[5,6]N[5,6]B[6])(C[5]N[5]C)(COO)	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]N[5])(C[5]C[5]C)	C[5](C[5]N[5,6]C)(N[5]N[5,6])(COO)	C[5](N[5,6]N[5,6]B[6])(C[5]N[5]C)(COO){1|B<4>,1|N<3>,2|C<3>}	N[5,6](B[6]N[5,6]C[6a]2)(N[5,6]B[6]N[5])(C[5]C[5]C){1|N<3>,8|C<3>}	C[5](C[5]N[5,6]C)(N[5]N[5,6])(COO){2|B<4>}	106.3725	0.375	2	106.3725	0.141	2	106.3725	0.141	2	106.3725	0.141	2	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:C-3:	C[5,5,6]-4:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5]O)(CC[5a]H)	N[5,6](C[5,5,6]C[5,6]N[5]2)(C[5]C[5]C)(C[6]C[6]O)	C[5](N[5]C[5,5,6]H)(C[5]N[5,6]C)(O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5]O)(CC[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5,6](C[5,5,6]C[5,6]N[5]2)(C[5]C[5]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5](N[5]C[5,5,6]H)(C[5]N[5,6]C)(O){1|C<3>,1|C<4>,1|N<3>}	104.5890	0.000	1	104.5890	0.000	1	104.5890	0.000	1	107.6530	6.696	6	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[5]-3:	B[6]-4:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[6a]C[5])	C[5](C[5]N[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,2|C<3>,2|N<3>,4|H<1>}	N[5,6](B[6]N[5,6]N[5a]H)(N[5,6]B[6]C[5])(C[5]C[6a]C[5]){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[5](C[5]N[5,6]C[6a])(C[5]N[5,6]H)(H){2|B<4>,2|C<3>}	108.0380	0.057	2	108.0380	0.003	2	108.0380	0.003	2	107.6530	6.696	6	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H){5|C<3>}	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	107.6530	6.696	6	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5])	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]N[5]H){2|C<3>,3|H<1>,4|C<4>}	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5]){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C)(H){2|C<3>,2|C<4>}	106.5180	0.619	2	106.5180	0.384	2	106.5180	0.384	2	107.6530	6.696	6	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CN[6]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]C)(COO)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CN[6]O){3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]C)(COO){1|H<1>,2|C<3>}	111.5770	0.000	1	111.5770	0.000	1	111.5770	0.000	1	111.5770	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:3:	4:4:3:	4:3:3:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)(COO)	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]C)(COO)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)(COO){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[6]C[6]HH)(C[5]C[5]C){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]C)(COO){1|C<4>,6|C<3>}	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	113.6510	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:4:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5])(CCHH)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]C)(C[6]C[6]H)	C[5](C[5]N[5]S[5])(N[5]C[5,6]Re)(C[5]N[5,6]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5])(CCHH){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]C)(C[6]C[6]H){1|Re<6>,2|Cl<1>,2|C<3>}	C[5](C[5]N[5]S[5])(N[5]C[5,6]Re)(C[5]N[5,6]C){4|C<3>}	103.8630	0.000	1	103.8630	0.000	1	103.8630	0.000	1	103.8630	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:4:	3:4:3:	3:2:1:	N[5,6]-3:C[5]-3:C-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]H)(CH3)	N[5,6](C[5,6]N[6]S[5])(B[6]N[5a,6]FF)(C[5]C[5]C)	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H)	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]H)(CH3){1|N<2>,1|N<3>,2|F<1>}	N[5,6](C[5,6]N[6]S[5])(B[6]N[5a,6]FF)(C[5]C[5]C){1|H<1>,2|C<3>}	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H){1|B<4>,1|N<2>}	111.7025	0.145	2	111.7025	0.021	2	111.7025	0.021	2	111.7025	0.021	2	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:4:	3:4:3:	3:2:3:	N[5,6]-3:C[5]-3:C-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:S[5]-2:C-3:	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(CH3)	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C)	C[5](C[5]N[5,6]C)(S[5]C[5,6])(COO)	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(CH3){1|N<2>,1|O<2>,2|F<1>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C){2|C<3>}	C[5](C[5]N[5,6]C)(S[5]C[5,6])(COO){1|B<4>,1|N<2>}	112.3910	0.000	1	112.3910	0.000	1	112.3910	0.000	1	112.3910	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:4:	3:4:3:	3:2:4:	N[5,6]-3:C[5]-3:C-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(CH3)	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C)	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CH3)	C[5](N[5,6]C[5,6]B[6])(C[5]S[5]C)(CH3){1|N<2>,1|O<2>,2|F<1>}	N[5,6](C[5,6]N[6]S[5])(B[6]O[6]FF)(C[5]C[5]C){1|C<3>,1|C<4>}	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CH3){1|B<4>,1|N<2>}	113.1710	0.000	1	113.1710	0.000	1	113.1710	0.000	1	113.1710	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:4:	3:4:3:	3:3:4:	N[5,6]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]C)(CH3)	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]C)(CH3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:4:	4:3:3:	3:2:1:	N[5,6]-3:C[5]-3:C-4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CCHH)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){1|H<1>,4|C<3>}	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H){1|C<4>,1|N<2>}	112.4600	0.000	1	112.4600	0.000	1	112.0525	0.332	2	112.0525	0.332	2	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:4:	4:3:3:	3:2:1:	N[5,6]-3:C[5]-3:C-4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CH3)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5]N[5,6]C)(S[5]C[5,6])(H){1|C<4>,1|N<3>}	111.6450	0.000	1	111.6450	0.000	1	112.0525	0.332	2	112.0525	0.332	2	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5]	3:3:4:	4:3:3:	3:2:3:	N[5,6]-3:C[5]-3:C-4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5]-3:S[5]-2:C-3:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3)	N[5,6](C[6]C[5a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CCO)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	N[5,6](C[6]C[5a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){1|S<2>,4|C<3>}	C[5](C[5]N[5,6]C)(S[5]C[5,6])(CCO){1|C<4>,1|N<2>}	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	108.1539	5.826	210	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5,6]	3:3:1:	3:3:4:	4:3:3:	C[5,5,6]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2)(N[5]N[5]C)(H)	N[5](N[5]C[5,5,6]Zn)(C[5]C[5,5,6]H)(CN[5]CH)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(C[5]N[5]H)	C[5](C[5,5,6]C[5,5,6]2)(N[5]N[5]C)(H){1|Zn<4>,1|H<1>,3|C<4>}	N[5](N[5]C[5,5,6]Zn)(C[5]C[5,5,6]H)(CN[5]CH){2|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]N[5])(C[5]N[5]H){1|Zn<4>,2|H<1>,5|C<4>}	106.8970	0.068	4	106.8970	0.005	4	106.8970	0.005	4	106.8970	0.005	4	106.8970	0.005	4	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:1:	3:3:1:	3:3:3:	C[5,5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]N[5,5])(N[5]C[5]H)(H)	N[5](C[5]C[5,5]H)(C[5]N[5,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]N[5]H)	C[5](C[5,5]C[5,6a]N[5,5])(N[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5,5]H)(C[5]N[5,5]H)(H){1|C<3>,1|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]N[5]H){1|C<4>,2|C<3>,4|H<1>}	106.7610	0.000	1	106.7610	0.000	1	106.7610	0.000	1	106.7610	0.000	1	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:1:	3:3:1:	3:4:3:	C[5,5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]H)(H)	N[5](C[5]C[5,5]H)(N[5]C[5,5]C)(H)	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]N[5]H)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	N[5](C[5]C[5,5]H)(N[5]C[5,5]C)(H){1|C<3>,1|C<4>}	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	107.4460	0.000	1	107.4460	0.000	1	107.4460	0.000	1	107.4460	0.000	1	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:1:	3:3:3:	3:4:3:	C[5,5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O)	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	104.8610	0.000	1	104.8610	0.000	1	104.8610	0.000	1	104.8610	0.000	1	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:1:	3:3:4:	3:3:3:	C[5,5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O)	C[5](C[5,5]C[5,5]C[5,6])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH){4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	103.2600	0.000	1	103.2600	0.000	1	103.2600	0.000	1	103.2600	0.000	1	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:1:	3:3:4:	3:4:3:	C[5,5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)	N[5](C[5]N[5,5]Ir)(C[5]C[5,5]H)(CC[6a]2H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H){1|Ir<6>,2|C<4>,2|H<1>}	N[5](C[5]N[5,5]Ir)(C[5]C[5,5]H)(CC[6a]2H){2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|Ir<6>,1|C<3>,1|C<4>,3|H<1>}	106.1710	0.202	2	106.1710	0.041	2	105.7507	0.254	4	105.7507	0.254	4	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:1:	3:3:4:	3:4:3:	C[5,5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)	N[5](C[5]N[5,5]Ni)(C[5]C[5,5]H)(CC[6]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5,5]N[5,5]C[5])(N[5]C[5]C)(H){1|Ni<4>,2|C<4>,2|H<1>}	N[5](C[5]N[5,5]Ni)(C[5]C[5,5]H)(CC[6]HH){2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|Ni<4>,1|C<3>,1|C<4>,3|H<1>}	105.3305	0.125	2	105.3305	0.016	2	105.7507	0.254	4	105.7507	0.254	4	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:1:	4:3:4:	4:3:3:	C[5,5]-3:N[5]-3:H-1:	P[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(N[5]P[5]C)(H)	N[5](P[5]C[5,5]CW)(C[5]C[5,5]H)(CH3)	C[5,5](C[5,5]P[5]S[5]H)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5,5]C[5,5]C[5])(N[5]P[5]C)(H){1|C<3>,1|C<4>,1|S<2>,1|W<6>,2|H<1>}	N[5](P[5]C[5,5]CW)(C[5]C[5,5]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[5,5](C[5,5]P[5]S[5]H)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,1|W<6>,2|C<4>}	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:3:	3:3:4:	3:3:3:	C[5,5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CCHH){4|C<3>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O){1|C<4>,1|O<1>,4|C<3>}	106.2770	0.000	1	106.2770	0.000	1	106.2770	0.000	1	106.2770	0.000	1	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,5]-3:N[5]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5,5]-3:C[5]-3:Si[5]-4:	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2)	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2)	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC)	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<4>,5|C<3>}	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2){1|Si<4>,1|C<4>,6|C<3>}	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC){2|C<4>,5|C<3>}	115.7590	0.000	1	115.6500	0.073	7	115.6500	0.073	7	115.6500	0.073	7	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:4:	C[5,5]-3:N[5]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5,5]-3:C[5]-3:Si[5]-4:	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2)	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2)	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC)	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<4>,5|C<3>}	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2){1|Si<4>,2|C<4>,5|C<3>}	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC){2|C<4>,5|C<3>}	115.6318	0.291	6	115.6500	0.073	7	115.6500	0.073	7	115.6500	0.073	7	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:3:	3:4:4:	3:3:3:	C[5,5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:S-4:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(N[5]C[5]S)	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(N[5]C[5]S){4|H<1>,5|C<3>}	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2){1|S<4>,3|H<1>,5|C<3>}	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:4:	3:3:4:	3:3:2:	C[5,5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:O[5]-2:	C[5](C[5,5]N[5,5]O[5])(N[5]C[5]C)(CCCH)	N[5](C[5]C[5,5]C)(C[5]N[5,5]H)(CH3)	C[5,5](N[5,5]C[5]2)(C[5]N[5]C)(O[5]C[5])	C[5](C[5,5]N[5,5]O[5])(N[5]C[5]C)(CCCH){1|H<1>,2|C<4>}	N[5](C[5]C[5,5]C)(C[5]N[5,5]H)(CH3){1|C<4>,1|O<2>}	C[5,5](N[5,5]C[5]2)(C[5]N[5]C)(O[5]C[5]){1|C<3>,1|C<4>,4|H<1>}	103.3920	0.000	1	103.3920	0.000	1	103.3920	0.000	1	103.3920	0.000	1	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5]	3:3:4:	4:3:1:	4:4:3:	C[5,5]-3:N[5]-3:C-4:	Si[5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(N[5]Si[5]H)(CC3)	N[5](Si[5]C[5,5]CC)(C[5]C[5,5]C)(H)	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C)	C[5](C[5,5]C[5,5]C[5])(N[5]Si[5]H)(CC3){1|Zr<14>,1|N<3>,2|C<4>,3|C<3>}	N[5](Si[5]C[5,5]CC)(C[5]C[5,5]C)(H){1|C<4>,2|C<3>}	C[5,5](C[5,5]C[6a]Si[5]C[5])(C[5]N[5]ZrC)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	110.1600	25.871	20	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6,6]	3:3:1:	3:3:4:	4:3:3:	C[5,6,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,3x6]O)(C[5]C[5,6,6]O)(CCHH)	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O)	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,3x6]O)(C[5]C[5,6,6]O)(CCHH){1|C<4>,2|C<3>}	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	105.5150	0.342	2	105.5150	0.117	2	105.5150	0.117	2	105.5150	0.117	2	105.5150	0.117	2	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:2:1:	3:4:3:	C[5,6]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]H)(H)	N[5](C[5]C[5,6]H)(N[5]N[5,6])(H)	C[5,6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(C[5]N[5]H)	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5,6]H)(N[5]N[5,6])(H){2|C<4>}	C[5,6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(C[5]N[5]H){2|C<4>,2|H<1>}	105.4280	0.000	1	105.4280	0.000	1	105.4280	0.000	1	105.4280	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(H)	N[5](C[5]C[5,6]H)(N[5]C[5,6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(H){2|C<4>,3|H<1>}	N[5](C[5]C[5,6]H)(N[5]C[5,6]H)(H){2|C<4>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6]HH)(C[5]N[5]H){3|C<4>,4|H<1>}	108.4720	0.186	4	108.4720	0.034	4	108.4720	0.034	4	108.4720	0.034	4	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:2:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:P[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H)	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6])	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]){2|C<4>,4|C<3>}	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){1|H<1>,3|C<3>}	110.3905	1.365	2	110.3573	0.935	3	110.3573	0.935	3	110.3573	0.935	3	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:2:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:P[5]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H)	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6])	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]){2|C<4>,4|C<3>}	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>}	110.2910	0.000	1	110.3573	0.935	3	110.3573	0.935	3	110.3573	0.935	3	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:2:	3:4:3:	C[5,6]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]N[5])(H)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6]H)(N[5]N[5,6])	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]N[5])(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6]H)(N[5]N[5,6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H){1|C<3>,1|C<4>,4|H<1>}	105.8950	0.192	2	105.8950	0.037	2	105.8950	0.037	2	105.2230	1.373	3	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:2:	3:4:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]O)(O)	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(OC)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]O)(O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(OC){1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,2|C<4>,2|O<2>}	103.8790	0.000	1	103.8790	0.000	1	103.8790	0.000	1	105.2230	1.373	3	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])(H)	N[5](C[5]N[5,6]Cu)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])(H){1|Cu<2>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]N[5,6]Cu)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,2|O<2>,3|C<3>}	C[5,6](N[5,6]C[5,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Fe<10>,1|Cu<2>,1|C<3>,3|C<4>}	106.8685	0.101	2	106.8685	0.010	2	106.8685	0.010	2	107.3775	3.837	6	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	S[5,5]-3:C[5]-3:C[6a]-3:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,5,6]C[6])(N[5]S[5,5]C[6a])(H)	N[5](S[5,5]N[5,5,6]N[5])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,5,6]C[6])(N[5]S[5,5]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	N[5](S[5,5]N[5,5,6]N[5])(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5]N[5]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	107.3775	3.837	6	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6,6]-3:C[6]-3:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6])(N[5]C[5,6]C[6a])(O)	N[5](C[5,6]C[5,6,6]N[6])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[6]C[6a]C[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6,6]C[6])(N[5]C[5,6]C[6a])(O){1|N<2>,1|N<3>,4|C<3>}	N[5](C[5,6]C[5,6,6]N[6])(C[5]C[5,6]O)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[6]C[6a]C[6])(C[5]N[5]O){1|C<2>,1|N<2>,5|C<3>}	106.3943	0.085	3	106.3943	0.007	3	106.3943	0.007	3	107.3775	3.837	6	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	106.0051	0.396	10	106.0051	0.156	10	106.0051	0.156	10	106.0051	0.156	10	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,5,6]C[6])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]O)(C[6]C[6]H)	C[5](C[5,6]C[5,5,6]C[6])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]O)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	105.3745	1.132	2	105.3745	1.282	2	105.3745	1.282	2	105.3745	1.282	2	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:2:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6]-3:S[6]-2:C[5]-3:	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|S<2>}	N[5](C[5]C[5,6]O)2(CC[6a]HH){2|S<2>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,3x6])(C[5]N[5]O){1|C<3>,1|O<1>,3|C<4>}	105.5290	0.760	6	105.5290	0.578	6	106.0000	0.246	28	106.0740	1.467	36	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:2:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6]-3:S[6]-2:C[5]-3:	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|S<2>}	N[5](C[5]C[5,6]O)2(CC[6a]HH){2|S<2>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	106.1099	0.299	20	106.1099	0.089	20	106.0000	0.246	28	106.0740	1.467	36	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:2:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6]-3:S[6]-2:C[5]-3:	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]S[6])(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|S<2>}	N[5](C[5]C[5,6]O)2(CH3){2|S<2>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	106.3145	0.528	2	106.3145	0.279	2	106.0000	0.246	28	106.0740	1.467	36	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:2:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6]-3:Se[6]-2:C[5]-3:	C[5](C[5,6]C[5,6]Se[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3)	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]Se[6])(N[5]C[5]C)(O){1|Se<2>,1|C<3>,1|O<1>}	N[5](C[5]C[5,6]O)2(CH3){2|Se<2>}	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	105.9685	0.289	2	105.9685	0.084	2	105.9685	0.084	2	106.0740	1.467	36	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:2:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[4]-4:	C[5,6]-3:S[6]-2:C[5]-3:	C[5](C[5,6]C[5,6]S[6])(N[5]C[4]C[5])(O)	N[5](C[5]C[5,6]O)2(C[4]C[4]2H)	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]S[6])(N[5]C[4]C[5])(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>,2|C<4>}	N[5](C[5]C[5,6]O)2(C[4]C[4]2H){1|C<4>,2|S<2>,4|H<1>}	C[5,6](C[5,6]C[5]S[6])(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	106.4545	2.953	6	106.4545	8.718	6	106.4545	8.718	6	106.0740	1.467	36	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:3:2:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:S-4:	C[5,6]-3:C[5]-3:C[6]-2:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(O)	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(SC[6]OO)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(C[6]C[6])	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(O){3|C<2>}	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(SC[6]OO){2|C<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(C[6]C[6]){1|S<4>,2|C<2>}	105.3050	0.136	2	105.3050	0.018	2	105.3050	0.018	2	105.3050	0.018	2	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)	N[5](C[5]N[5,6]Ir)(C[5]C[5,6]H)(CCHH)	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]N[5,6]Ir)(C[5]C[5,6]H)(CCHH){1|C<3>,1|N<3>}	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	108.3010	0.000	1	108.3010	0.000	1	108.0580	0.118	2	105.8341	2.369	7	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)	N[5](C[5]N[5,6]Rh)(C[5]C[5,6]H)(CC[6a]HH)	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]N[5,6]Rh)(C[5]C[5,6]H)(CC[6a]HH){1|C<3>,1|N<3>}	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	107.8150	0.000	1	107.8150	0.000	1	108.0580	0.118	2	105.8341	2.369	7	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,2|N<3>,3|C<3>}	105.2650	0.000	1	105.2650	0.000	1	105.2650	0.000	1	105.8341	2.369	7	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:N[6]-3:	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(N[6]C[6]C)	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,6]O)2(CH3){1|C<4>,1|N<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	105.0290	0.000	1	105.0290	0.000	1	105.0290	0.000	1	105.8341	2.369	7	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6]-3:N[6]-3:C[5]-3:	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6]O)2(CH3){1|C<4>,1|N<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	105.8341	2.369	7	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	N[6]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3)	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6]O)2(CH3){1|C<4>,1|N<3>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	104.7380	0.235	2	104.7380	0.055	2	104.7380	0.055	2	105.8341	2.369	7	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:4:3:	C[5,6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,6]-3:B[6]-4:C[5]-3:	C[5](C[5,6]N[5,6]B[6])(N[5]C[5]C)(H)	N[5](C[5]C[5,6]H)(C[5]N[5,6]H)(CC3)	C[5,6](N[5,6]C[5]C[6])(B[6]O[6]CC)(C[5]N[5]H)	C[5](C[5,6]N[5,6]B[6])(N[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<4>}	N[5](C[5]C[5,6]H)(C[5]N[5,6]H)(CC3){1|B<4>,1|C<4>}	C[5,6](N[5,6]C[5]C[6])(B[6]O[6]CC)(C[5]N[5]H){2|C<4>,3|H<1>}	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	107.0033	4.397	3	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:4:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){2|C<3>,3|C<4>}	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	105.8710	0.000	1	105.8710	0.000	1	105.8710	0.000	1	107.0033	4.397	3	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	3:4:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3)	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|O<1>,6|C<3>}	105.7160	0.000	1	105.7160	0.000	1	105.7160	0.000	1	107.0033	4.397	3	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	4:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[4,5,6]-4:C[6]-3:C[5]-3:	C[5](C[5,6]C[4,5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[4,5,6]O)(C[5]C[5,6]O)(CH3)	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[6]C[6,6a]H)(C[5]N[5]O)	C[5](C[5,6]C[4,5,6]C[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[4,5,6]O)(C[5]C[5,6]O)(CH3){1|C<4>,2|C<3>}	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[6]C[6,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	105.9460	0.000	1	105.9460	0.000	1	105.9460	0.000	1	107.0175	0.427	6	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	4:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]N)(C[5]C[5,6]O)(CCHH)	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5](C[5]C[5,6]N)(C[5]C[5,6]O)(CCHH){1|C<4>,1|N<3>}	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	107.9930	0.000	1	107.9930	0.000	1	107.2318	0.190	5	107.0175	0.427	6	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	4:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6]O)2(CH3){1|C<4>,1|N<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	107.1000	0.093	2	107.1000	0.009	2	107.2318	0.190	5	107.0175	0.427	6	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	4:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6]O)2(CH3){1|C<4>,1|N<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<2>,1|O<1>,2|C<4>,3|C<3>}	107.0610	0.000	1	106.9830	0.012	2	107.2318	0.190	5	107.0175	0.427	6	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	3:3:4:	4:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]O)2(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6]O)2(CH3){1|C<4>,1|N<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	106.9050	0.000	1	106.9830	0.012	2	107.2318	0.190	5	107.0175	0.427	6	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:3:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	Ga[5,5]-4:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	N[5](Ga[5,5]N[5,6]2N[5])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	N[5](Ga[5,5]N[5,6]2N[5])(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	116.5160	0.000	1	116.5160	0.000	1	116.5160	0.000	1	114.8363	2.202	3	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:3:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	Si[5,5]-4:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]Si[5,5]C[6a])(H)	N[5](Si[5,5]N[5,6]2N[5])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]Si[5,5]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	N[5](Si[5,5]N[5,6]2N[5])(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	113.9965	0.415	2	113.9965	0.172	2	113.9965	0.172	2	114.8363	2.202	3	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:4:	3:2:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:O[6]-2:C[5]-3:	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[4,5,6])(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	103.9830	0.000	1	103.9830	0.000	1	104.5505	0.644	2	104.5505	0.644	2	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:4:	3:2:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:O[6]-2:C[5]-3:	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(O[6]C[5,6])(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	105.1180	0.000	1	105.1180	0.000	1	104.5505	0.644	2	104.5505	0.644	2	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:4:	3:3:2:	C[5,6]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	104.0450	0.198	2	104.4742	0.283	9	104.4742	0.283	9	104.4742	0.283	9	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:4:	3:3:2:	C[5,6]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	104.4200	0.000	1	104.4742	0.283	9	104.4742	0.283	9	104.4742	0.283	9	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:4:	3:3:2:	C[5,6]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	104.2753	0.565	3	104.4742	0.283	9	104.4742	0.283	9	104.4742	0.283	9	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:4:	3:3:2:	C[5,6]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]C)(O){2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	104.9773	0.412	3	104.4742	0.283	9	104.4742	0.283	9	104.4742	0.283	9	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:4:	3:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5a,6]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5a,6]C[5,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5](C[5,6]C[5a,6]C[5,6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	106.5165	0.016	2	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:4:	3:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	N[6,6]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]N[6,6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]N[5]O)	C[5](C[5,6]C[5,6]N[6,6])(N[5]C[5]C)(O){2|H<1>,3|C<4>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|N<3>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	106.4270	0.000	1	106.4270	0.000	1	106.4270	0.000	1	106.5165	0.016	2	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:4:	3:4:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	106.4840	0.000	1	106.4840	0.000	1	106.4840	0.000	1	106.4840	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:4:	4:3:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:4:	4:4:3:	C[5,6]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:S-4:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,5,6]C[6])(N[5]C[5,5]S)(H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]H)(SC[6a]OO)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]N[5]H)	C[5](C[5,6]C[5,5,6]C[6])(N[5]C[5,5]S)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]H)(SC[6a]OO){2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6]N[6]HH)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|S<4>,3|H<1>}	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	112.9260	0.125	2	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	4:3:4:	4:4:3:	C[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6])(N[5]C[5,6]S)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(SC[6a]OO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]N[5]H)	C[5](C[5,6]C[5,6,6]C[6])(N[5]C[5,6]S)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]H)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]N[5]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	112.6760	0.000	1	112.6760	0.000	1	112.6760	0.000	1	112.9260	0.125	2	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	5:3:3:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	Ga[5,5]-5:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	N[5](Ga[5,5]N[5,6]2N[5]Cl)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|Cl<1>,1|H<1>,2|N<3>,4|C<3>}	N[5](Ga[5,5]N[5,6]2N[5]Cl)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	118.4230	0.000	1	118.4230	0.000	1	118.3885	0.020	4	118.3885	0.020	4	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	5:3:3:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	Ga[5,5]-5:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	N[5](Ga[5,5]N[5,6]2N[5]O)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|H<1>,1|O<3>,2|N<3>,4|C<3>}	N[5](Ga[5,5]N[5,6]2N[5]O)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|O<3>,2|C<3>,2|H<1>,2|N<3>}	118.2850	0.000	1	118.2850	0.000	1	118.3885	0.020	4	118.3885	0.020	4	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	5:3:3:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	Ga[5,5]-5:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	N[5](Ga[5,5]N[5,6]2N[5]S)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|H<1>,1|S<2>,2|N<3>,4|C<3>}	N[5](Ga[5,5]N[5,6]2N[5]S)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	118.4230	0.214	2	118.4230	0.046	2	118.3885	0.020	4	118.3885	0.020	4	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:1:	6:3:3:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	In[5]-6:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]In[5])(H)	N[5](In[5]N[5,6]O[5]Cl3)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]In[5])(H){3|Cl<1>,1|H<1>,1|O<3>,4|C<3>}	N[5](In[5]N[5,6]O[5]Cl3)(C[5]C[5,6]H)(C[6a]C[6a]2){4|C<3>,4|C<4>}	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]H)(C[6]C[6]H){3|Cl<1>,1|O<3>,2|C<3>,2|H<1>}	120.6660	0.000	1	120.6660	0.000	1	120.6660	0.000	1	120.6660	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:2:	C[5,6]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:S-4:	C[5,6]-3:C[5]-3:C[6]-2:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(CO)	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(SC[6]OO)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6])	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(CO){1|O<1>,2|C<2>}	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(SC[6]OO){2|C<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]){1|C<2>,1|O<1>,1|S<4>}	105.6290	0.117	2	105.6290	0.014	2	105.6290	0.014	2	105.6290	0.014	2	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:N[6]-3:	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(NC)	N[5](C[5]C[5,6]N)(C[5]C[5,6]O)(CCHH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]N)(N[6]C[6]H)	C[5](C[5,6]C[5,6]N[6])(N[5]C[5]C)(NC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5,6]N)(C[5]C[5,6]O)(CCHH){1|C<4>,1|N<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]N)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	104.8400	0.000	1	104.8400	0.000	1	104.8400	0.000	1	104.8400	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[5,6]C[6a])(C[5]N[5,6]S)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(O[6]C[6])	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a])(C[5]N[5,6]S)(H){1|O<2>,3|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(O[6]C[6]){1|S<1>,3|H<1>,4|C<3>}	104.0220	0.000	1	104.0220	0.000	1	104.0220	0.000	1	104.0220	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]O)(CHH)	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(OC)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]O)(CHH){1|O<1>,2|C<4>}	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(OC){1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	102.6600	0.000	1	102.6600	0.000	1	102.6600	0.000	1	102.6600	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6a]-3:	P[5,5]-3:C[5]-3:C[6a]-3:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2)	N[5](P[5,5]N[5,5,6]N[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	N[5](P[5,5]N[5,5,6]N[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	110.5830	0.059	2	110.5830	0.004	2	110.5830	0.004	2	110.5830	0.004	2	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(CCH)	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(CCH){1|C<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	105.1040	0.000	1	105.1040	0.000	1	105.1040	0.000	1	105.1040	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6]-3:N[5]-3:O-3:	Se[5,5]-4:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]Se[5,5]C[6a])(OHH)	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,6]Se[5,5]C[6])(C[5]N[5]O)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5]Se[5,5]C[6a])(OHH){1|C<2>,1|H<1>,1|N<4>,4|C<3>}	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<2>,3|H<1>,7|C<3>}	C[5,6](C[5,6]Se[5,5]C[6])(C[5]N[5]O)(C[6]C[6]H){1|H<1>,1|N<4>,3|C<3>}	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:3:	4:3:3:	4:3:3:	C[5,6]-3:N[5]-3:C[6a]-3:	Si[5,6]-4:C[5]-3:N-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]Si[5,6]N)(C[6a]C[6a]2)	N[5](Si[5,6]C[5,6]N[6]2)(C[5]C[5,6]C[6a])(NHH)	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5]Si[5,6]N)(C[6a]C[6a]2){2|N<3>,4|C<3>,4|H<1>}	N[5](Si[5,6]C[5,6]N[6]2)(C[5]C[5,6]C[6a])(NHH){1|H<1>,8|C<3>}	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|N<3>}	114.0400	0.000	1	114.0400	0.000	1	114.0400	0.000	1	114.0400	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:4:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6])(N[5]C[5]H)(CCHH)	N[5](C[5]N[5,6]C[6a])(C[5]C[5,6]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C)	C[5](C[5,6]C[6,6a]N[5,6])(N[5]C[5]H)(CCHH){1|C<4>,3|C<3>}	N[5](C[5]N[5,6]C[6a])(C[5]C[5,6]C)(H){1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C){1|C<4>,3|C<3>,4|H<1>}	106.4180	0.000	1	106.4180	0.000	1	106.4180	0.000	1	106.4180	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:4:	3:3:1:	4:3:3:	C[5,6]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3)	N[5](C[5]C[5,6]C)(N[5]C[5,6]H)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]C)(N[5]C[5,6]H)(H){2|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,3|C<3>,5|H<1>}	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	109.1885	11.486	2	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:4:	3:3:1:	4:3:3:	C[5,6]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3)	N[5](N[5]C[5,6]C[6a])(C[5]C[5,6]C)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C)	C[5](C[5,6]C[5,6]C[6])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](N[5]C[5,6]C[6a])(C[5]C[5,6]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C){3|H<1>,4|C<3>}	111.5850	0.000	1	111.5850	0.000	1	111.5850	0.000	1	109.1885	11.486	2	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6]	3:3:4:	4:3:2:	3:3:3:	C[5,6]-3:N[5]-3:C-4:	In[5]-4:C[5]-3:N-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]In[5]N)(CH3)	N[5](In[5]N[5,6]ClS)(C[5]C[5,6]C)(NC)	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]In[5]N)(CH3){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	N[5](In[5]N[5,6]ClS)(C[5]C[5,6]C)(NC){2|C<3>}	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	116.4120	0.000	1	116.4120	0.000	1	116.4120	0.000	1	116.4120	0.000	1	107.2957	12.131	123	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:Br-1:	C[5](C[5]N[5]Br)(N[5]O[5]O)(Br)	N[5](C[5]C[5]Br)(O[5]N[5])(O)	C[5](C[5]N[5]Br)(N[5]O[5])(Br)	C[5](C[5]N[5]Br)(N[5]O[5]O)(Br)	N[5](C[5]C[5]Br)(O[5]N[5])(O){1|Br<1>}	C[5](C[5]N[5]Br)(N[5]O[5])(Br){1|O<1>}	107.0130	0.000	1	107.0130	0.000	1	107.0130	0.000	1	106.2690	1.107	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:H-1:	C[5]-3:N[5]-2:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](C[5]N[5]H)(N[5]C[5])(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5])(H){1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5])(H){1|H<1>}	105.5250	0.000	1	105.5250	0.000	1	105.5250	0.000	1	106.2690	1.107	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:2:2:	C[5]-3:N[5]-3:Br-1:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:O-2:	C[5](C[5]N[5]O)(N[5]O[5]O)(Br)	N[5](C[5]C[5]Br)(O[5]N[5])(O)	C[5](C[5]N[5]Br)(N[5]O[5])(OC)	C[5](C[5]N[5]O)(N[5]O[5]O)(Br)	N[5](C[5]C[5]Br)(O[5]N[5])(O){1|O<2>}	C[5](C[5]N[5]Br)(N[5]O[5])(OC){1|O<1>}	106.3650	0.000	1	106.3650	0.000	1	106.3650	0.000	1	106.6600	0.069	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:2:2:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:O-2:	C[5](C[5]N[5]O)(N[5]O[5]O)(Cl)	N[5](C[5]C[5]Cl)(O[5]N[5])(O)	C[5](C[5]N[5]Cl)(N[5]O[5])(OC)	C[5](C[5]N[5]O)(N[5]O[5]O)(Cl)	N[5](C[5]C[5]Cl)(O[5]N[5])(O){1|O<2>}	C[5](C[5]N[5]Cl)(N[5]O[5])(OC){1|O<1>}	106.8720	0.000	1	106.8720	0.000	1	106.8075	0.008	2	106.6600	0.069	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:2:2:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:O-2:	C[5](C[5]N[5]O)(N[5]O[5]O)(Cl)	N[5](C[5]C[5]Cl)(O[5]N[5])(O)	C[5](C[5]N[5]Cl)(N[5]O[5])(OC[6a])	C[5](C[5]N[5]O)(N[5]O[5]O)(Cl)	N[5](C[5]C[5]Cl)(O[5]N[5])(O){1|O<2>}	C[5](C[5]N[5]Cl)(N[5]O[5])(OC[6a]){1|O<1>}	106.7430	0.000	1	106.7430	0.000	1	106.8075	0.008	2	106.6600	0.069	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5])(H){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>}	107.5557	2.382	3	107.5557	5.673	3	107.5557	5.673	3	106.9820	5.099	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]N[5])(H)	C[5](C[5]N[5]H)(N[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]N[5]H)(H){1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]H)(N[5]N[5]N)(H){1|H<1>}	105.2610	0.000	1	105.2610	0.000	1	105.2610	0.000	1	106.9820	5.099	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(H){2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5])(H){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){2|C<3>,3|H<1>}	106.7340	0.000	1	106.7340	0.000	1	106.7340	0.000	1	103.9190	2.737	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5]H)(O)	N[5](C[5]C[5]O)(N[5]C[5])(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]N[5]H)(O){1|C<4>}	N[5](C[5]C[5]O)(N[5]C[5])(H){1|C<4>,1|N<2>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|H<1>}	103.5700	0.810	2	103.5700	0.657	2	103.3560	1.044	5	103.9190	2.737	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5]H)(O)	N[5](C[5]C[5]O)(N[5]C[5])(H)	C[5](C[5]N[5]N)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]N[5]H)(O){1|N<3>}	N[5](C[5]C[5]O)(N[5]C[5])(H){1|N<2>,1|N<3>}	C[5](C[5]N[5]N)(C[5]N[5]O)(NN){1|H<1>}	103.2133	1.298	3	103.2133	1.684	3	103.3560	1.044	5	103.9190	2.737	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]N[5])(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]H)(H){3|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(H){2|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H){3|H<1>,4|C<3>}	105.8160	0.000	1	105.8160	0.000	1	105.8160	0.000	1	105.8160	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5])(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<6>}	N[5](C[5]C[5]H)(C[5]N[5])(H){1|Fe<6>,1|C<4>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH){1|H<1>}	105.9150	0.000	1	105.9150	0.000	1	105.9150	0.000	1	105.9150	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:N-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]N)(H)	N[5](C[5]C[5]H)(N[5]N[5])(NN)	C[5](C[5]N[5]H)(N[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]N[5]N)(H){1|N<2>}	N[5](C[5]C[5]H)(N[5]N[5])(NN){1|H<1>,1|N<2>}	C[5](C[5]N[5]H)(N[5]N[5]N)(H){1|N<2>}	105.3184	0.554	8	105.3184	0.307	8	105.3184	0.307	8	105.3184	0.307	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:2:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-2:C-2:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]C[5])(CC)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>}	N[5](C[5]C[5]O)(C[5]C[5])(CC){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO){1|C<2>}	109.5650	0.895	2	109.5650	0.801	2	109.5650	0.801	2	109.5650	0.801	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCN)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5])(CCN){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){3|C<3>}	106.4520	0.000	1	106.4520	0.000	1	106.4520	0.000	1	105.7187	0.787	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:P-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5])(PCC)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5])(PCC){1|H<1>,1|P<3>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|P<3>}	106.7510	0.335	2	106.7510	0.112	2	106.8927	0.116	3	105.7187	0.787	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:P-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5])(PNN)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5])(PNN){1|H<1>,1|P<3>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|P<3>}	107.1760	0.000	1	107.1760	0.000	1	106.8927	0.116	3	105.7187	0.787	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]N)(H)	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]N)(H){1|C<4>}	N[5](C[5]C[5]H)(N[5]N[5])(NHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|N<3>}	105.1230	0.421	5	105.1230	0.177	5	105.1868	0.213	8	105.7187	0.787	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]N)(H)	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	C[5](C[5]N[5]H)(N[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]N[5]N)(H){1|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(NHH){2|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]H)(H){1|N<3>}	105.2770	0.000	1	105.2770	0.000	1	105.1868	0.213	8	105.7187	0.787	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:N-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]N)(H)	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	C[5](C[5]N[5]H)(N[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]N[5]N)(H){1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(NHH){1|H<1>,1|N<3>}	C[5](C[5]N[5]H)(N[5]N[5]N)(H){1|N<3>}	105.3010	0.853	2	105.3010	0.727	2	105.1868	0.213	8	105.7187	0.787	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:3:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CNS)	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|C<4>}	N[5](C[5]C[5]O)(N[5]C[5])(CNS){1|C<4>,1|N<2>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|C<3>}	103.2063	0.282	7	103.2063	0.080	7	103.2020	0.062	9	103.2020	0.062	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:3:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:N[5]-2:C-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CSS)	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|C<4>}	N[5](C[5]C[5]O)(N[5]C[5])(CSS){1|C<4>,1|N<2>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|C<3>}	103.1870	0.113	2	103.1870	0.013	2	103.2020	0.062	9	103.2020	0.062	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:2:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:C-4:	C[5]-3:N[5]-2:H-1:	C[5](N[5]Se[5]C)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(Se[5]N[5])(CC3)	C[5](C[5]N[5]H)(N[5]Se[5])(H)	C[5](N[5]Se[5]C)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(Se[5]N[5])(CC3){1|H<1>}	C[5](C[5]N[5]H)(N[5]Se[5])(H){1|C<4>}	113.2614	0.904	12	113.2614	0.818	12	113.2614	0.818	12	113.2614	0.818	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:2:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:O[5]-2:N-3:	C[5](C[5]O[5]N)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]O[5])(CH3)	C[5](C[5]N[5]H)(O[5]N[5])(NHH)	C[5](C[5]O[5]N)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]O[5])(CH3){1|N<3>}	C[5](C[5]N[5]H)(O[5]N[5])(NHH){1|C<4>}	104.1805	0.151	4	104.1805	0.023	4	104.1805	0.023	4	104.1805	0.023	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5])(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>}	106.8585	0.141	4	106.8585	0.020	4	106.8585	0.020	4	105.9270	1.835	38	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>}	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<4>}	105.7340	0.000	1	105.7340	0.000	1	106.3348	0.061	9	105.9270	1.835	38	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|N<2>}	106.5380	0.137	2	106.4442	0.014	5	106.3348	0.061	9	105.9270	1.835	38	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5])(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,2|C<3>}	106.3817	0.062	3	106.4442	0.014	5	106.3348	0.061	9	105.9270	1.835	38	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CH3)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<7>}	N[5](C[5]C[5]H)(C[5]N[5])(CH3){1|Mo<7>,1|H<1>}	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H){1|C<4>}	106.3230	0.000	1	106.3230	0.000	1	106.3348	0.061	9	105.9270	1.835	38	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5])(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,2|C<3>}	106.3675	0.078	2	106.3675	0.006	2	106.3348	0.061	9	105.9270	1.835	38	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:P-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5])(PCCO)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5])(PCCO){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<4>,2|C<3>}	105.9300	0.000	1	105.9300	0.000	1	105.9300	0.000	1	105.9270	1.835	38	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|C<4>}	105.7964	2.026	14	105.7964	4.104	14	105.7846	2.709	21	105.9270	1.835	38	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|C<4>}	105.8590	0.000	2	105.8590	0.000	2	105.7846	2.709	21	105.9270	1.835	38	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](C[5]N[5]H)(N[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|H<1>,1|N<3>}	C[5](C[5]N[5]H)(N[5]N[5]N)(H){1|C<4>}	105.7218	0.443	5	105.7218	0.196	5	105.7846	2.709	21	105.9270	1.835	38	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(H){1|C<4>,2|C<3>}	105.3810	0.000	1	105.3810	0.000	1	105.3810	0.000	1	105.9270	1.835	38	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-2:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5])(CC3)	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<4>}	N[5](C[5]C[5]O)(C[5]N[5])(CC3){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<4>}	103.9965	0.189	2	103.9965	0.036	2	103.9965	0.036	2	105.9270	1.835	38	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:C-2:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CC)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<2>,1|C<3>}	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CC){1|C<4>,2|C<3>}	105.7220	0.000	1	105.7220	0.000	1	105.7220	0.000	1	103.4586	2.358	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(NO)	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|C<3>}	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<3>,1|N<2>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(NO){1|C<4>,2|C<3>}	103.2570	0.000	1	103.2570	0.000	1	102.8928	1.010	4	103.4586	2.358	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C[5](C[5]N[5]C)(C[5]N[5]O)(NO)	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|C<4>}	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<4>,1|N<2>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NO){1|C<4>}	103.4595	0.107	2	103.4595	0.011	2	102.8928	1.010	4	103.4586	2.358	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C[5](C[5]N[5]N)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]N[5]C)(O){1|N<3>}	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|N<2>,1|N<3>}	C[5](C[5]N[5]N)(C[5]N[5]O)(NN){1|C<4>}	101.3950	0.000	1	101.3950	0.000	1	102.8928	1.010	4	103.4586	2.358	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|C<4>}	106.3130	0.000	1	106.3130	0.000	1	105.9680	0.238	2	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](C[5]C[5]S[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	C[5](C[5]C[5]S[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	105.6230	0.000	1	105.6230	0.000	1	105.9680	0.238	2	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<4>}	107.4220	0.000	1	107.4220	0.000	1	105.7956	0.856	5	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]C)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]C){1|C<4>}	105.3890	0.196	4	105.3890	0.039	4	105.7956	0.856	5	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[5]C[5]N[5])(N[5]N[5]Re)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Re<6>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Re<6>,1|C<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Re)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	104.6215	0.766	4	104.6215	0.587	4	104.6215	0.587	4	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CBHH)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CBHH){1|Ir<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	105.0615	0.351	2	105.0615	0.124	2	104.7597	0.108	15	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Cu<5>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	104.7290	0.000	1	104.7290	0.000	1	104.7597	0.108	15	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	104.7190	0.230	5	104.7190	0.053	5	104.7597	0.108	15	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ir<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	104.7100	0.035	2	104.7100	0.001	2	104.7597	0.108	15	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Pt<4>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pt<4>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	103.9640	0.000	1	103.9640	0.000	1	104.7597	0.108	15	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Re<6>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Re<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	105.1110	0.000	1	105.1110	0.000	1	104.7597	0.108	15	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Fe<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	105.0045	0.077	2	105.0045	0.006	2	104.7597	0.108	15	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ir<8>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|Ir<8>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){2|C<3>,2|C<4>}	104.4450	0.000	1	104.4450	0.000	1	104.7597	0.108	15	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,1|H<1>,3|C<3>}	106.2785	0.620	2	106.0988	0.149	5	106.1362	0.782	18	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCCH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCCH){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	105.9790	0.228	3	106.0988	0.149	5	106.1362	0.782	18	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	106.5720	1.185	6	106.5720	1.405	6	106.1362	0.782	18	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	105.5820	1.015	4	105.5820	1.030	4	106.1362	0.782	18	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	106.0660	0.313	3	106.0660	0.098	3	106.1362	0.782	18	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[6a]C[6a]2)(N[5]N[5]Os)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Os<9>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Os<9>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Os)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	105.8385	0.108	2	105.8385	0.012	2	105.3459	0.216	10	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pd<4>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	105.1005	0.305	2	105.1005	0.093	2	105.3459	0.216	10	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Re<6>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Re<6>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	105.2030	0.000	1	105.2030	0.000	1	105.3459	0.216	10	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Ru<9>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	105.0437	0.626	3	105.0437	0.392	3	105.3459	0.216	10	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pd<4>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Pd<4>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	105.6370	0.000	1	105.6370	0.000	1	105.3459	0.216	10	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Re<6>,2|C<3>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|Re<6>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	105.6100	0.000	1	105.6100	0.000	1	105.3459	0.216	10	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Fe<6>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Fe<6>,1|C<3>}	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHN){1|C<4>}	104.9880	0.423	2	104.9880	0.179	2	105.5359	0.609	8	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Fe<6>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){1|Fe<6>,1|C<3>}	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHN){1|C<4>}	105.7185	0.810	6	105.7185	0.657	6	105.5359	0.609	8	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:I-1:	C[5]-3:N[5]-2:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I)	N[5](C[5]C[5]I)(N[5]N[5])(CCHH)	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I){1|C<4>,2|C<3>}	N[5](C[5]C[5]I)(N[5]N[5])(CCHH){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	105.7410	1.684	3	105.7410	2.836	3	105.7410	2.836	3	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CCHH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)	C[5](C[5]C[5]C)(N[5]N[5]C)(O){1|C<4>}	N[5](C[5]C[5]O)(N[5]C[5])(CCHH){1|C<3>,1|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN){1|C<4>}	104.7530	0.130	2	104.7530	0.017	2	104.4830	0.227	3	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]C)(O)	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCO)	C[5](C[5]C[5]C)(N[5]N[5]C)(O){1|C<4>}	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,1|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCO){1|C<4>}	103.9430	0.000	1	103.9430	0.000	1	104.4830	0.227	3	105.4363	0.825	68	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:C-4:	C[5]-3:N[5]-3:Si-4:	C[5](C[5]N[5]Si)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5])(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(SiClHN)	C[5](C[5]N[5]Si)(N[5]C[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5])(CC3){1|Si<4>,1|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(SiClHN){1|C<4>}	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	105.5032	0.962	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){2|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH){1|C<4>}	106.1830	0.150	3	106.1830	0.023	3	105.8165	0.173	6	105.5032	0.962	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](C[5]N[5]H)(N[5]N[5]H)(CHHO)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|H<1>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]H)(CHHO){1|C<4>}	105.5470	0.000	1	105.5470	0.000	1	105.8165	0.173	6	105.5032	0.962	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CH3)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(N[5]N[5])(CH3){2|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH){1|C<4>}	105.4015	0.045	2	105.4015	0.002	2	105.8165	0.173	6	105.5032	0.962	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CCHH)	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<4>}	N[5](C[5]C[5]H)(N[5]N[5])(CCHH){1|Zn<4>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS){1|C<4>}	105.1960	0.232	3	105.1960	0.054	3	105.1153	0.406	13	105.5032	0.962	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH)	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<4>}	N[5](C[5]C[5]H)(N[5]N[5])(CC[6]HH){1|Zn<4>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHS){1|C<4>}	104.7320	0.000	1	104.7320	0.000	1	105.1153	0.406	13	105.5032	0.962	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHP)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHP){1|C<4>}	105.3623	1.228	3	105.3623	1.507	3	105.1153	0.406	13	105.5032	0.962	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	C[5](N[5]N[5]Pt)(C[5]N[5]H)(CHHP)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pt<4>}	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Pt<4>,1|C<4>}	C[5](N[5]N[5]Pt)(C[5]N[5]H)(CHHP){1|C<4>}	105.2695	0.077	2	105.2695	0.006	2	105.1153	0.406	13	105.5032	0.962	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<9>}	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Ru<9>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS){1|C<4>}	104.0930	0.000	1	104.0930	0.000	1	105.1153	0.406	13	105.5032	0.962	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CHHS)	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<9>}	N[5](C[5]C[5]H)(N[5]N[5])(CHHS){1|Ru<9>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH){1|C<4>}	105.0410	0.000	1	105.0410	0.000	1	105.1153	0.406	13	105.5032	0.962	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CSeHH)	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<9>}	N[5](C[5]C[5]H)(N[5]N[5])(CSeHH){1|Ru<9>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS){1|C<4>}	104.8350	0.000	1	104.8350	0.000	1	105.1153	0.406	13	105.5032	0.962	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]N[5])(CSeHH)	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<9>}	N[5](C[5]C[5]H)(N[5]N[5])(CSeHH){1|Ru<9>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH){1|C<4>}	105.5840	0.000	1	105.5840	0.000	1	105.1153	0.406	13	105.5032	0.962	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]S[5]C)(H)	C[5](C[5]N[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(H){1|C<4>}	N[5](C[5]C[5]H)(C[5]S[5]C)(H){1|H<1>}	C[5](C[5]N[5]H)(S[5]C[5])(H){1|C<4>,1|H<1>}	112.1330	0.602	2	112.1330	0.363	2	112.8722	0.382	90	112.8722	0.382	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]S[5]N)(H)	C[5](C[5]N[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(H){1|N<2>}	N[5](C[5]C[5]H)(C[5]S[5]N)(H){1|H<1>}	C[5](C[5]N[5]H)(S[5]C[5])(H){1|H<1>,1|N<2>}	112.7829	0.505	70	112.8761	0.267	85	112.8722	0.382	90	112.8722	0.382	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]S[5]N)(H)	C[5](C[5]N[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(H){1|N<3>}	N[5](C[5]C[5]H)(C[5]S[5]N)(H){1|H<1>}	C[5](C[5]N[5]H)(S[5]C[5])(H){1|H<1>,1|N<3>}	113.3109	0.316	15	112.8761	0.267	85	112.8722	0.382	90	112.8722	0.382	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]S[5]S)(H)	C[5](C[5]N[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(H){1|S<2>}	N[5](C[5]C[5]H)(C[5]S[5]S)(H){1|H<1>}	C[5](C[5]N[5]H)(S[5]C[5])(H){1|H<1>,1|S<2>}	112.1900	0.000	1	112.1900	0.000	1	112.8722	0.382	90	112.8722	0.382	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6a]S[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(H){1|C<3>}	N[5](C[5]C[6a]S[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(S[5]C[5])(H){1|C<3>,1|H<1>}	115.7860	0.000	1	115.7860	0.000	1	112.8722	0.382	90	112.8722	0.382	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(H)	N[5](C[5]S[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(H){1|Mn<6>}	N[5](C[5]S[5]Mn)(C[5]C[5]H)(H){1|H<1>}	C[5](C[5]N[5]H)(S[5]C[5])(H){1|Mn<6>,1|H<1>}	111.7870	0.000	1	111.7870	0.000	1	112.8722	0.382	90	112.8722	0.382	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:P-3:	C[5](C[5]S[5]P)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]S[5]N)(H)	C[5](C[5]N[5]H)(S[5]C[5])(PC[5]2)	C[5](C[5]S[5]P)(N[5]C[5]H)(H){1|N<3>}	N[5](C[5]C[5]H)(C[5]S[5]N)(H){1|P<3>}	C[5](C[5]N[5]H)(S[5]C[5])(PC[5]2){1|H<1>,1|N<3>}	115.0823	1.262	6	115.0823	1.593	6	115.0823	1.593	6	110.0254	15.976	24	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]N)	C[5](C[5]N[5]C)(N[5]C[5]H)(O){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H){3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]N){1|C<3>,1|H<1>}	104.5145	0.549	2	104.5145	0.302	2	104.2473	0.129	6	110.0254	15.976	24	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(O)	N[5](C[5]N[5]N[6])(C[5]C[5]O)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](C[5]N[5]C)(N[5]C[5]H)(O){1|N<3>}	N[5](C[5]N[5]N[6])(C[5]C[5]O)(H){1|C<3>,2|C<4>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|H<1>,1|N<3>}	104.1137	0.209	4	104.1137	0.044	4	104.2473	0.129	6	110.0254	15.976	24	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C[5](C[5]S[5]C)(N[5]C[5]H)(O){1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(H){1|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	110.3860	0.567	12	110.3860	0.321	12	110.3860	0.321	12	110.0254	15.976	24	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-4:	C[5](C[5]O[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]O[5]O)(H)	C[5](C[5]N[5]H)(O[5]C[5])(CH3)	C[5](C[5]O[5]C)(N[5]C[5]H)(H){1|O<2>}	N[5](C[5]C[5]H)(C[5]O[5]O)(H){1|C<4>}	C[5](C[5]N[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<2>}	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	113.4718	2.381	23	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]S[5]N)(H)	C[5](C[5]N[5]H)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]H)(H){1|N<2>}	N[5](C[5]C[5]H)(C[5]S[5]N)(H){1|C<4>}	C[5](C[5]N[5]H)(S[5]C[5])(CH3){1|H<1>,1|N<2>}	113.5924	0.264	5	113.7565	0.542	22	113.7565	0.542	22	113.4718	2.381	23	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:2:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]S[5]N)(H)	C[5](C[5]N[5]H)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]H)(H){1|N<3>}	N[5](C[5]C[5]H)(C[5]S[5]N)(H){1|C<4>}	C[5](C[5]N[5]H)(S[5]C[5])(CH3){1|H<1>,1|N<3>}	113.8047	0.826	17	113.7565	0.542	22	113.7565	0.542	22	113.4718	2.381	23	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:Br-1:	C[5](C[5]N[5]Br)(N[5]C[5]H)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]C)(H)	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	C[5](C[5]N[5]Br)(N[5]C[5]H)(Br){2|C<4>}	N[5](C[5]C[5]Br)(C[5]N[5]C)(H){1|Br<1>,1|C<4>}	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|C<4>,1|H<1>}	107.0240	0.000	1	107.0240	0.000	1	107.0240	0.000	1	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]H)(H)	C[5](C[5]N[5]Br)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(Br){2|H<1>}	N[5](C[5]C[5]Br)(C[5]N[5]H)(H){2|H<1>}	C[5](C[5]N[5]Br)(N[5]C[5]H)(H){2|H<1>}	107.7590	0.000	1	107.7590	0.000	1	107.7590	0.000	1	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(H){2|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	108.9605	0.378	2	108.9605	0.143	2	108.9605	0.143	2	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(C)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(C){1|Ir<8>,1|H<1>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|C<1>,1|C<3>}	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:D-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]D)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(D)	C[5](C[5]N[5]H)(N[5]C[5]D)(H)	C[5](C[5]N[5]H)(N[5]C[5]D)(H){1|D<1>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(D){1|D<1>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]D)(H){1|D<1>,1|H<1>}	106.9315	0.366	2	106.9315	0.134	2	106.9315	0.134	2	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:Br-1:	C[5](C[5]N[5]Br)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(Br)	C[5](C[5]N[5]Br)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Br<1>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(Br){2|H<1>}	105.5160	0.000	1	105.5160	0.000	1	105.5160	0.000	1	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<2>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<2>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.8000	0.000	1	106.8895	0.902	39	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.7190	0.000	1	106.8895	0.902	39	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	108.2400	1.960	3	106.8895	0.902	39	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.7780	0.791	34	106.8895	0.902	39	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	107.1773	0.475	6	106.7228	3.306	119	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	106.6987	1.860	113	106.7228	3.306	119	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){2|H<1>,3|C<4>}	107.3270	0.000	1	107.3270	0.000	1	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){2|H<1>}	106.5830	0.738	2	106.5830	0.545	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	109.1227	4.118	3	107.1114	3.686	190	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	107.0791	1.870	187	107.1114	3.686	190	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){2|H<1>}	107.0419	1.201	451	107.0419	1.441	451	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]N)(H){2|H<1>}	107.3110	0.000	1	107.3110	0.000	1	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]O)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|H<1>,1|O<2>}	C[5](C[5]N[5]H)(N[5]C[5]O)(H){2|H<1>}	107.2325	0.090	2	107.2325	0.008	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]S)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|S<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|H<1>,1|S<4>}	C[5](C[5]N[5]H)(N[5]C[5]S)(H){2|H<1>}	107.4660	0.144	2	107.4660	0.021	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>}	107.9580	0.000	1	108.7165	1.151	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<3>}	109.4750	0.000	1	108.7165	1.151	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|N<2>}	107.3179	1.041	12	107.1982	0.546	28	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	107.1084	0.408	16	107.1982	0.546	28	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]P)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|P<4>}	107.3260	0.000	1	107.3260	0.000	1	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]P)(H){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|P<4>}	107.0300	0.055	2	107.0300	0.003	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<1>}	107.4510	0.301	2	107.1471	1.257	57	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<1>}	106.8695	0.358	4	107.1471	1.257	57	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<2>}	107.1710	1.186	50	107.1471	1.257	57	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|S<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<3>}	106.4550	0.000	1	107.1471	1.257	57	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|S<2>}	106.9065	0.537	2	106.9065	0.288	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	107.3687	0.408	6	107.3502	0.268	35	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){2|H<1>,2|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	107.3463	0.544	29	107.3502	0.268	35	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	108.0970	0.528	2	108.0970	0.278	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	107.3358	0.609	28	107.3358	0.370	28	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){2|N<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	106.8035	0.496	2	106.8035	0.246	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	106.9969	0.424	25	106.9969	0.180	25	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]N[5]Cl)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cl<1>,1|H<1>}	N[5](C[5]N[5]Cl)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cl<1>,1|H<1>}	106.3905	0.448	2	106.3905	0.200	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ir<6>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|H<1>}	107.2010	0.000	1	106.8075	0.310	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|H<1>}	106.4140	0.000	1	106.8075	0.310	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|H<1>}	106.5210	0.409	2	106.5210	0.167	2	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Re<6>,1|C<4>}	N[5](C[5]N[5]Re)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|H<1>}	106.1950	0.000	1	106.1950	0.000	1	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Se<1>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|H<1>}	106.7090	0.092	2	107.1430	1.130	8	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Se<2>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|H<1>}	107.2877	1.216	6	107.1430	1.130	8	107.0424	1.912	1006	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Ag)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ag<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Ag<4>,1|H<1>}	C[5](N[5]C[5]Ag)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.0750	0.000	1	106.0750	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cd<5>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Cd<5>,1|H<1>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	105.8107	0.175	3	105.8107	0.031	3	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Co<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Co<4>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3680	0.000	1	106.9205	1.033	6	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Co<6>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.3628	0.930	4	106.9205	1.033	6	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Co<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	105.7040	0.000	1	106.9205	1.033	6	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<5>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.1434	0.527	12	106.1434	0.278	12	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Fe<5>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Fe<5>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	105.8473	0.286	3	106.5643	0.226	24	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Fe<6>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Fe<6>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.7340	0.360	19	106.5643	0.226	24	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Fe<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Fe<6>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.0270	0.165	2	106.5643	0.226	24	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Mn<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.5740	0.000	1	106.5740	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ni<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Ni<6>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.0860	0.164	4	106.0860	0.027	4	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ru<6>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Ru<6>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.3980	0.444	2	106.5383	0.158	3	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ru<9>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Ru<9>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.8190	0.000	1	106.5383	0.158	3	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Zn<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.7100	0.000	1	106.7100	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.8323	0.430	4	107.3602	1.533	5	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	109.4720	0.000	1	107.3602	1.533	5	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]B[3,3,5,4x6]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|B<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|B<5>,1|H<1>}	C[5](N[5]B[3,3,5,4x6]C[5])(C[5]N[5]H)(H){3|B<6>,3|H<1>}	106.1165	0.118	2	106.1165	0.014	2	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[4]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](N[5]C[4]C[5])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	106.9610	0.000	1	106.9610	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	109.4360	0.000	1	109.4360	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cd<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cd<6>,1|H<1>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H){2|H<1>}	106.3774	0.578	9	106.3774	0.334	9	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Co<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Co<4>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){2|H<1>}	106.3932	0.617	4	106.0668	0.357	53	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Co<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Co<5>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){2|H<1>}	106.1792	0.266	4	106.0668	0.357	53	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Co<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){2|H<1>}	106.0278	0.615	45	106.0668	0.357	53	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<2>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cu<2>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){2|H<1>}	107.2430	0.000	1	106.4033	0.223	32	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cu<4>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){2|H<1>}	106.6357	0.504	7	106.4033	0.223	32	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){2|H<1>}	106.2659	0.449	20	106.4033	0.223	32	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cu<6>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){2|H<1>}	106.4070	0.008	2	106.4033	0.223	32	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<7>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cu<7>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){2|H<1>}	106.5415	0.216	2	106.4033	0.223	32	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Fe<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Fe<4>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){2|H<1>}	106.0645	0.579	2	105.9834	0.665	17	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Fe<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Fe<6>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){2|H<1>}	105.9726	0.858	15	105.9834	0.665	17	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mg)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Mg<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Mg<6>,1|H<1>}	C[5](N[5]C[5]Mg)(C[5]N[5]H)(H){2|H<1>}	105.8918	0.306	4	105.8918	0.093	4	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){2|H<1>}	106.1383	0.187	7	106.1160	0.034	8	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Mn<7>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Mn<7>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){2|H<1>}	105.9600	0.000	1	106.1160	0.034	8	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Mo<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Mo<6>,1|H<1>}	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H){2|H<1>}	106.5191	0.623	16	106.5191	0.388	16	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ni<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ni<6>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){2|H<1>}	106.2864	0.444	101	106.2858	0.195	102	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ni<8>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ni<8>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){2|H<1>}	106.2270	0.000	1	106.2858	0.195	102	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Np)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Np<7>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Np<7>,1|H<1>}	C[5](N[5]C[5]Np)(C[5]N[5]H)(H){2|H<1>}	105.6863	0.710	4	105.6863	0.505	4	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Os)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Os<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Os<6>,1|H<1>}	C[5](N[5]C[5]Os)(C[5]N[5]H)(H){2|H<1>}	106.4753	0.360	6	106.4753	0.129	6	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Pd<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Pd<4>,1|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){2|H<1>}	105.6980	0.000	1	105.6980	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Pt<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Pt<6>,1|H<1>}	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H){2|H<1>}	106.2490	0.000	1	106.2490	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Re<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Re<6>,1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){2|H<1>}	106.5864	1.131	7	106.5864	1.278	7	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Rh<8>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Rh<8>,1|H<1>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){2|H<1>}	106.9511	0.650	8	106.9511	0.422	8	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ru<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ru<6>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){2|H<1>}	106.2630	0.036	3	106.2428	0.016	6	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ru<9>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ru<9>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){2|H<1>}	106.2227	0.192	3	106.2428	0.016	6	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Si<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Si<4>,1|H<1>}	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){2|H<1>}	106.8920	0.000	1	106.8920	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Zn<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){2|H<1>}	106.2996	0.231	8	106.4761	0.255	13	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Zn<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Zn<5>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){2|H<1>}	106.1490	0.000	1	106.4761	0.255	13	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Zn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Zn<6>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){2|H<1>}	106.9108	0.726	4	106.4761	0.255	13	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	106.7934	0.405	7	107.1925	0.689	42	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	107.2723	0.874	35	107.1925	0.689	42	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<6>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){1|Cu<6>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|H<1>,1|N<2>}	106.8745	0.100	2	106.8745	0.010	2	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Mn<6>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|H<1>,1|N<2>}	106.6320	0.000	1	106.6320	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Zn<4>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|H<1>,1|N<2>}	106.6330	0.209	2	106.6330	0.044	2	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]N)(H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	107.8320	0.000	1	107.8320	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Pt<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|Pt<4>,1|H<1>}	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H){1|H<1>,1|S<2>}	106.7630	0.000	1	106.7630	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|S<1>,2|C<3>}	107.1397	0.218	6	107.1397	0.048	6	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cd<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Cd<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.4534	0.747	22	106.4534	0.558	22	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Co<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Co<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.9981	0.597	45	106.9981	0.357	45	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<5>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.3910	0.000	1	106.6628	0.566	9	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<5>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.7670	0.898	6	106.6628	0.566	9	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Cu<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.4860	0.546	2	106.6628	0.566	9	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Fe<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.6672	0.209	6	106.6672	0.044	6	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ir<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.4945	1.018	2	106.4945	1.035	2	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Mn<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Mn<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.6181	0.691	7	106.6181	0.478	7	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Mo<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Mo<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.2485	0.025	2	107.2485	0.001	2	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ni<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Ni<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.6041	0.426	23	106.6041	0.182	23	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Os)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Os<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Os<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Os)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.7590	1.325	2	106.7590	1.756	2	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Pt<4>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Pt<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	105.1050	0.000	1	105.1050	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Re<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Re<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.4220	0.327	2	107.4220	0.107	2	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Rh<4>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Rh<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.7251	0.622	31	106.7311	0.310	42	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Rh<5>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Rh<5>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.7482	0.327	11	106.7311	0.310	42	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ru<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Ru<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.6110	0.350	6	107.6110	0.123	6	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Zn<5>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Zn<5>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.1172	0.706	4	106.6100	0.643	12	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Zn<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Zn<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.3564	0.759	8	106.6100	0.643	12	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cd<6>,1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Cd<6>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.0070	0.000	1	106.0070	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Co<6>,1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.7101	0.848	7	107.7101	0.720	7	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<4>,1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.4690	0.000	1	106.6405	0.059	2	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<5>,1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.8120	0.000	1	106.6405	0.059	2	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ir<6>,1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.8140	0.000	1	106.8140	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Re<6>,1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.7640	0.994	2	106.7640	0.988	2	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Rh<5>,1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Rh<5>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.8173	0.388	4	107.7780	0.121	5	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Rh<6>,1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Rh<6>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.6210	0.000	1	107.7780	0.121	5	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ru<6>,1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	108.5660	0.000	1	108.5660	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<5>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.5790	0.000	1	106.5790	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Fe<6>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.2430	0.000	1	106.2430	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ir<6>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	101.2790	0.000	1	101.2790	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Mn<6>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	105.8655	0.204	6	105.7974	0.067	7	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Mn<6>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	105.3890	0.000	1	105.7974	0.067	7	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ni<6>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Ni<6>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.8540	0.000	1	106.8540	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Pt<4>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.2320	0.192	4	107.2320	0.037	4	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ag)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ag<2>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ag<2>,1|H<1>,2|C<3>}	C[5](N[5]C[5]Ag)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	105.9622	0.236	4	105.9622	0.056	4	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Co<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.4216	0.226	9	106.4216	0.051	9	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cr)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cr<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cr<6>,1|H<1>,2|C<3>}	C[5](N[5]C[5]Cr)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.3240	0.000	1	106.3240	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Cu<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.1407	0.209	9	106.1407	0.044	9	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Os)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Os<7>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Os<7>,1|H<1>,2|C<3>}	C[5](N[5]C[5]Os)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.5970	0.000	1	106.5970	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Pd<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.1950	0.000	1	106.1950	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ir<6>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	107.5460	0.182	2	107.5460	0.033	2	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Re<6>,1|C<3>}	N[5](C[5]N[5]Re)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,1|H<1>,2|C<3>}	105.8280	0.000	1	105.8280	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Se<1>,1|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<1>,1|H<1>,2|C<3>}	107.5470	0.000	1	107.5470	0.000	1	106.5425	0.550	651	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:O-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]O)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(O)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]O)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(O){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>}	106.4780	0.075	2	106.4780	0.006	2	106.4780	0.006	2	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:D-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]D)(H)	N[5](C[5]C[5]H)(N[5]C[5]D)(D)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]D)(H){1|D<1>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]D)(D){2|H<1>}	C[5](C[5]N[5]H)2(H){2|D<1>}	108.4850	0.041	2	108.4850	0.002	2	108.4850	0.002	2	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|Br<1>,1|N<3>}	C[5](C[5]N[5]H)(C[5]N[5]N)(Br){2|H<1>}	108.7010	0.000	1	108.7010	0.000	1	108.7010	0.000	1	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]B)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|B<4>,1|H<1>}	107.4170	0.000	1	107.4170	0.000	1	108.1741	0.670	103	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]C)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|C<4>,1|H<1>}	110.9940	0.000	1	110.9940	0.000	1	108.1741	0.670	103	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	109.1647	0.775	3	109.1647	0.601	3	108.1741	0.670	103	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|H<1>}	108.6853	0.672	9	108.6853	0.451	9	108.1741	0.670	103	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]H)(C[5]N[5]N)(H){2|H<1>}	109.4580	0.336	3	109.4580	0.113	3	108.1741	0.670	103	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){2|H<1>}	108.0313	0.700	82	108.0313	0.490	82	108.1741	0.670	103	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]V)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|C<3>,1|V<7>}	N[5](C[5]C[5]H)(N[5]C[5]V)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|C<3>,1|H<1>,1|N<3>,1|V<7>}	108.4820	0.000	1	108.4820	0.000	1	108.1741	0.670	103	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]V)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|H<1>,1|V<6>}	N[5](C[5]C[5]H)(N[5]C[5]V)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|H<1>,1|V<6>}	106.6240	0.000	1	106.6240	0.000	1	108.1741	0.670	103	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]W)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|H<1>,1|W<6>}	N[5](C[5]C[5]H)(N[5]C[5]W)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|H<1>,1|W<6>}	108.4220	0.000	1	107.9055	0.534	2	108.1741	0.670	103	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]W)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|H<1>,1|W<8>}	N[5](C[5]C[5]H)(N[5]C[5]W)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|H<1>,1|W<8>}	107.3890	0.000	1	107.9055	0.534	2	108.1741	0.670	103	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:I-1:	C[5](C[5]C[5]I)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)2(I)	C[5](C[5]C[5]I)(N[5]N[5]H)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]B)(H){1|H<1>,1|I<1>}	C[5](C[5]N[5]H)2(I){1|B<4>,1|H<1>}	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(N[5]N[5,6]H)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]N[5]H)(H)	C[5](C[5]C[5,6]H)(N[5]N[5,6]H)(H){1|C<3>,1|C<4>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	111.9770	0.000	1	111.9770	0.000	1	111.9770	0.000	1	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]B[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|B<4>,1|H<1>}	N[5](N[5]B[6a]C[5])(C[5]C[5]H)(H){1|C<3>,2|H<1>,2|O<2>}	C[5](C[5]N[5]H)2(H){1|B<4>,1|H<1>}	107.3320	0.000	1	107.3320	0.000	1	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Be)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Be<4>,1|H<1>}	N[5](N[5]C[5]Be)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Be<4>,1|H<1>}	107.2210	0.000	1	107.2210	0.000	1	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Cd)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cd<5>,1|C<3>}	N[5](N[5]C[5]Cd)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cd<5>,1|C<3>,1|H<1>,1|N<3>}	106.8980	0.000	1	107.5386	0.215	7	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Cd)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cd<6>,1|C<3>}	N[5](N[5]C[5]Cd)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<3>}	107.6453	0.402	6	107.5386	0.215	7	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Cd)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cd<6>,1|C<3>}	N[5](N[5]C[5]Cd)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cd<6>,1|H<1>}	107.6870	0.000	1	107.6870	0.000	1	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Cd)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cd<6>,1|H<1>}	N[5](N[5]C[5]Cd)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cd<6>,1|H<1>}	107.6580	0.000	1	107.6580	0.000	1	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Co<8>,1|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Co<8>,1|C<3>,1|H<1>,1|N<3>}	108.0700	0.000	1	108.0700	0.000	1	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Co<6>,1|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<6>,1|H<1>}	108.0630	2.173	11	108.0920	3.940	13	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Co<6>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<6>,1|H<1>}	108.2515	0.086	2	108.0920	3.940	13	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cu<4>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|H<1>,2|C<3>}	107.8430	0.000	1	107.8430	0.000	1	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cu<4>,1|N<2>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(H){1|H<1>,1|N<2>}	C[5](C[5]N[5]H)(C[5]N[5]N)(H){1|Cu<4>,1|H<1>}	108.5650	0.000	1	108.5075	0.007	2	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cu<5>,1|N<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(H){1|H<1>,1|N<4>}	C[5](C[5]N[5]H)(C[5]N[5]N)(H){1|Cu<5>,1|H<1>}	108.4500	0.000	1	108.5075	0.007	2	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cu<4>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|H<1>}	107.3955	0.286	2	106.8720	1.169	6	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cu<5>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|H<1>}	107.9600	0.000	1	106.8720	1.169	6	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Cu<6>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<6>,1|H<1>}	106.1603	1.121	3	106.8720	1.169	6	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Fe<6>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	107.8331	0.731	105	107.8331	0.535	105	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Fe<6>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|H<1>}	107.9755	0.608	19	107.9755	0.369	19	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Fe<5>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<5>,1|H<1>}	106.5710	0.000	1	106.8955	0.211	2	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Fe<6>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|H<1>}	107.2200	0.000	1	106.8955	0.211	2	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ir<6>,1|C<3>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	107.3050	2.701	4	107.3050	7.298	4	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ir<6>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|H<1>}	107.8800	1.284	2	107.8800	1.649	2	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mn<6>,1|C<3>}	N[5](N[5]C[5]Mn)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>}	107.8234	0.358	8	107.8234	0.128	8	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mn<6>,1|C<3>}	N[5](N[5]C[5]Mn)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mn<6>,1|H<1>}	107.4370	0.014	2	107.4370	0.000	2	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mn<6>,1|H<1>}	N[5](N[5]C[5]Mn)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|H<1>}	106.2740	0.000	1	106.6360	0.262	2	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mn<8>,1|H<1>}	N[5](N[5]C[5]Mn)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mn<8>,1|H<1>}	106.9980	0.000	1	106.6360	0.262	2	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mo<6>,1|C<3>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Mo<6>,1|C<3>,1|H<1>,1|N<3>}	107.5473	0.632	3	107.5970	0.277	4	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mo<7>,1|C<3>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Mo<7>,1|C<3>,1|H<1>,1|N<3>}	107.7460	0.000	1	107.5970	0.277	4	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mo<6>,1|H<1>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mo<6>,1|H<1>}	107.2155	0.077	2	107.3760	0.080	3	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Mo<7>,1|H<1>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mo<7>,1|H<1>}	107.6970	0.000	1	107.3760	0.080	3	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ni<6>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>}	107.6510	0.478	3	107.6510	0.229	3	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ni<4>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<4>,1|H<1>}	107.3517	0.968	3	107.1765	0.433	22	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ni<6>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|H<1>}	107.1488	0.629	19	107.1765	0.433	22	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Os)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Os<6>,1|H<1>}	N[5](N[5]C[5]Os)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Os<6>,1|H<1>}	107.3363	0.271	10	107.3363	0.073	10	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Pd<4>,1|C<3>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	107.7680	0.000	1	107.7680	0.000	1	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Pd<4>,1|C<3>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	107.8200	0.020	2	107.8200	0.000	2	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|H<1>}	107.7440	0.370	13	107.7440	0.137	13	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Pt<4>,1|C<3>}	N[5](N[5]C[5]Pt)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	108.3834	0.418	9	108.3834	0.175	9	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Pt<4>,1|H<1>}	N[5](N[5]C[5]Pt)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pt<4>,1|H<1>}	106.8332	1.680	14	106.8977	2.684	15	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Pt<6>,1|H<1>}	N[5](N[5]C[5]Pt)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pt<6>,1|H<1>}	107.8000	0.000	1	106.8977	2.684	15	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Re<6>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|H<1>}	107.5645	0.231	2	107.5645	0.053	2	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Rh<4>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<4>,1|H<1>}	107.1735	0.127	2	107.1856	0.039	9	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Rh<6>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|H<1>}	107.1890	0.223	7	107.1856	0.039	9	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ru<6>,1|C<3>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<3>}	108.8860	0.864	4	108.8860	0.746	4	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ru<6>,1|C<3>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	108.1830	0.127	3	108.2125	0.014	4	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ru<9>,1|C<3>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	108.3010	0.000	1	108.2125	0.014	4	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ru<5>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<5>,1|H<1>}	107.2290	0.430	2	107.3579	0.131	23	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|H<1>}	107.3702	0.364	21	107.3579	0.131	23	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Sb)(C[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Sb<6>,1|C<3>}	N[5](N[5]C[5]Sb)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Sb<6>,1|H<1>,2|C<3>}	107.5158	0.545	12	107.5158	0.297	12	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Sn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Sn<6>,1|H<1>}	N[5](N[5]C[5]Sn)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Sn<6>,1|H<1>}	107.3830	0.088	2	107.3830	0.008	2	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Zn<5>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<3>}	106.2370	0.000	1	107.3935	0.650	4	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Zn<6>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<3>}	107.7790	0.288	3	107.3935	0.650	4	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Zn<5>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Zn<5>,1|H<1>}	107.1200	0.000	1	107.5553	0.178	4	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Zn<6>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Zn<6>,1|H<1>}	107.7003	0.376	3	107.5553	0.178	4	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(H){1|Zn<4>,1|H<1>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Zn<4>,1|H<1>}	108.2975	0.226	4	108.2975	0.051	4	107.6543	0.783	328	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:I-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:I-1:	C[5](C[5]N[5]I)(N[5]C[5]H)(I)	N[5](C[5]C[5]I)(C[5]N[5]H)(H)	C[5](C[5]N[5]I)(N[5]C[5]H)(I)	C[5](C[5]N[5]I)(N[5]C[5]H)(I){2|H<1>}	N[5](C[5]C[5]I)(C[5]N[5]H)(H){1|H<1>,1|I<1>}	C[5](C[5]N[5]I)(N[5]C[5]H)(I){2|H<1>}	107.1130	0.000	1	107.1130	0.000	1	107.1130	0.000	1	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(N[5]C[5,6]H)(O)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O)	C[5](C[5]C[5,6]O)(N[5]C[5,6]H)(O){1|C<3>,1|C<4>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O){1|C<3>,1|C<4>,3|H<1>}	105.7710	0.000	1	105.7710	0.000	1	105.7710	0.000	1	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){2|C<3>,2|H<1>}	107.1700	0.000	1	107.1700	0.000	1	107.1700	0.000	1	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	105.9910	0.000	1	106.1105	0.129	42	106.1105	0.129	42	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	106.1895	0.133	6	106.1105	0.129	42	106.1105	0.129	42	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,2|C<3>}	106.4910	0.000	1	106.1105	0.129	42	106.1105	0.129	42	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	106.6100	0.933	3	106.1105	0.129	42	106.1105	0.129	42	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|F<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	105.9750	0.233	7	106.1105	0.129	42	106.1105	0.129	42	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Br<1>,1|H<1>,2|C<3>}	106.2010	0.000	1	106.1105	0.129	42	106.1105	0.129	42	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,2|C<3>}	106.1603	0.085	3	106.1105	0.129	42	106.1105	0.129	42	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,1|I<1>,2|C<3>}	105.7960	0.000	1	106.1105	0.129	42	106.1105	0.129	42	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	106.0355	0.324	18	106.1105	0.129	42	106.1105	0.129	42	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|I<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	106.2500	0.000	1	106.1105	0.129	42	106.1105	0.129	42	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(N[5]C[5]H)(O){1|Br<1>,1|O<1>}	N[5](C[5]C[5]O)2(H){2|Br<1>}	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br){1|H<1>,1|O<1>}	105.7712	0.155	4	105.7712	0.024	4	105.5604	0.240	5	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(H){1|Br<1>,1|C<3>}	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Br){1|H<1>,1|O<1>,2|C<3>}	104.7170	0.000	1	104.7170	0.000	1	105.5604	0.240	5	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(N[5]C[5]H)(O){1|Cl<1>,1|O<1>}	N[5](C[5]C[5]O)2(H){2|Cl<1>}	C[5](C[5]C[5]Cl)(C[5]N[5]O)(Cl){1|H<1>,1|O<1>}	105.5498	0.327	5	105.5498	0.107	5	105.5498	0.107	5	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]H)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|H<1>}	106.6530	0.000	1	106.6530	0.000	1	106.0681	0.285	27	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]H)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(O){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>}	105.3123	0.437	3	105.3123	0.191	3	106.0681	0.285	27	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]H)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(O){2|C<3>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|H<1>,3|C<3>}	105.8190	0.000	1	105.8190	0.000	1	106.0681	0.285	27	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)2(H){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	106.1559	0.476	22	106.1559	0.226	22	106.0681	0.285	27	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(O){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	104.1975	0.310	2	104.1975	0.096	2	104.1975	0.096	2	107.0051	1.455	2187	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-2:	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)(C[5]N[5])	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>}	C[5](C[5a]C[5a]2)(C[5]N[5]H)(C[5]N[5]){1|N<2>,1|N<3>,4|H<1>}	108.4400	0.000	1	108.4400	0.000	1	108.4400	0.000	1	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[5a])	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[5a]){2|C<3>,2|H<1>}	106.1650	0.000	1	106.1650	0.000	1	106.1310	0.180	64	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6])	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6]){2|C<3>,2|H<1>}	105.9460	0.816	2	105.9460	0.666	2	106.1310	0.180	64	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|H<1>}	106.0190	0.535	6	106.0190	0.286	6	106.1310	0.180	64	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	106.1651	0.419	51	106.1651	0.175	51	106.1310	0.180	64	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	105.9477	0.196	4	105.9477	0.038	4	106.1310	0.180	64	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<2>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CN){1|C<3>,1|H<1>}	105.6910	0.000	1	105.6910	0.000	1	106.4730	0.850	8	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){2|C<3>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<2>,1|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CN){1|H<1>,3|C<3>}	104.7050	0.000	1	104.7050	0.000	1	106.4730	0.850	8	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(H){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CN){1|H<1>,1|O<1>}	106.8980	0.475	6	106.8980	0.226	6	106.4730	0.850	8	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)(N[5]C[5]H)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(OS)	C[5](C[5]C[5]O)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(C[5]N[5]O)(OS){1|C<3>,1|H<1>}	105.0650	0.000	1	105.0650	0.000	1	105.0650	0.000	1	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]S)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]S)(C[5]N[5]O)(SAu)	C[5](C[5]C[5]S)(N[5]C[5]H)(O){1|O<1>,1|S<2>}	N[5](C[5]C[5]O)2(H){2|S<2>}	C[5](C[5]C[5]S)(C[5]N[5]O)(SAu){1|H<1>,1|O<1>}	105.3193	0.356	4	105.3193	0.127	4	105.6627	0.214	15	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]S)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]S)(C[5]N[5]O)(SNi)	C[5](C[5]C[5]S)(N[5]C[5]H)(O){1|O<1>,1|S<2>}	N[5](C[5]C[5]O)2(H){2|S<2>}	C[5](C[5]C[5]S)(C[5]N[5]O)(SNi){1|H<1>,1|O<1>}	105.7876	0.444	11	105.7876	0.197	11	105.6627	0.214	15	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]O)(N[5]C[5])	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(O){1|C<3>,1|N<3>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]N[5]O)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	104.7480	0.000	1	104.7480	0.000	1	104.7480	0.000	1	106.0818	0.367	90	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:Br-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]H)(H)	C[5](C[5]N[5]Br)(N[5]C[5]Ni)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(Br){1|Ni<6>,1|H<1>}	N[5](C[5]C[5]Br)(C[5]N[5]H)(H){1|Ni<6>,1|C<3>}	C[5](C[5]N[5]Br)(N[5]C[5]Ni)(CHN){2|H<1>}	106.6890	0.000	1	106.6890	0.000	1	106.6890	0.000	1	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]H)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]H)(H){4|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){4|C<3>,4|H<1>}	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	106.1430	0.820	2	106.1430	0.673	2	106.4333	0.438	4	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,4|H<1>}	106.3340	0.000	1	106.3340	0.000	1	106.4333	0.438	4	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	107.1130	0.000	1	107.1130	0.000	1	106.4333	0.438	4	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(CCH){1|C<4>,1|H<1>}	107.3240	0.000	1	107.3240	0.000	1	107.2554	0.254	5	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CHN){2|H<1>}	107.7230	0.000	1	107.7230	0.000	1	107.2554	0.254	5	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(COO){2|H<1>}	107.0767	0.590	3	107.0767	0.348	3	107.2554	0.254	5	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cu<4>,1|C<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	105.7300	0.000	1	105.7599	0.121	9	106.2801	1.192	31	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cu<5>,1|C<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]Cu)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	105.7636	0.371	8	105.7599	0.121	9	106.2801	1.192	31	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ni<6>,1|C<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]Ni)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	107.2290	1.579	9	107.2290	2.494	9	106.2801	1.192	31	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Zn<6>,1|C<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]N[5]H){1|C<3>,1|N<3>,3|H<1>}	106.1725	0.179	6	106.1725	0.032	6	106.2801	1.192	31	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]S[5])(N[5]C[5]Rh)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Rh<8>,1|H<1>,1|N<3>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Rh<8>,1|C<3>}	C[5](C[5]N[5]S[5])(N[5]C[5]Rh)(C[5]N[5]H){2|C<3>,2|H<1>}	104.5370	0.000	1	104.5370	0.000	1	106.2801	1.192	31	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Zn<6>,1|N<3>,2|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Zn<6>,1|C<3>,2|N<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]Zn)(C[5]N[5]H){1|N<3>,2|C<3>,2|H<1>}	106.0353	0.363	6	106.0353	0.132	6	106.2801	1.192	31	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]N)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	C[5](C[5]N[5]N)(N[5]C[5]H)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|C<4>,1|H<1>}	105.9865	0.431	2	105.9865	0.185	2	105.9865	0.185	2	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	106.3307	0.920	3	106.3307	0.846	3	106.3307	0.846	3	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]Cu)(C[5]N[5]H)	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cu<4>,1|C<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]Cu)(C[5]N[5]H){1|C<3>,1|N<2>,3|H<1>}	105.1630	0.000	1	105.1630	0.000	1	105.1630	0.000	1	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]C[5]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Pt<4>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]H){2|C<3>,3|H<1>}	106.2790	0.000	1	106.2790	0.000	1	106.2790	0.000	1	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(H){1|H<1>,1|S<1>,2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|S<1>,2|C<3>,3|H<1>}	107.3375	0.439	4	107.3375	0.193	4	107.3375	0.193	4	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Cu<5>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Cu<5>,1|C<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN){1|C<4>,1|H<1>}	106.1582	2.278	12	106.1582	5.189	12	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Fe<6>,1|C<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN){1|C<4>,1|H<1>}	105.9227	1.251	59	105.9227	1.565	59	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Cd<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cd<6>,1|C<3>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(CHN){2|H<1>}	103.9170	0.000	1	103.9170	0.000	1	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Co<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Co<6>,1|C<3>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN){2|H<1>}	106.4165	1.883	15	106.4165	3.547	15	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CNO)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Co<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Co<6>,1|C<3>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(CNO){2|H<1>}	105.7103	0.799	9	105.7103	0.638	9	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Co<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Co<6>,1|C<3>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(COO){2|H<1>}	105.7805	0.037	2	105.7805	0.001	2	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cu<5>,1|C<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN){2|H<1>}	105.8947	0.281	3	105.8947	0.079	3	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cu<5>,1|C<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(COO){2|H<1>}	106.4050	0.000	1	106.4050	0.000	1	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Fe<6>,1|C<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN){2|H<1>}	105.4183	0.611	21	105.4183	0.373	21	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Mn<6>,1|C<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CHN){2|H<1>}	106.1536	0.218	5	105.9615	0.105	8	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Mn<7>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Mn<7>,1|C<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CHN){2|H<1>}	105.6413	0.159	3	105.9615	0.105	8	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Mn<6>,1|C<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(COO){2|H<1>}	105.8410	0.000	1	105.8410	0.000	1	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ni<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ni<6>,1|C<3>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHN){2|H<1>}	105.7802	0.331	4	105.7802	0.110	4	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ni<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ni<6>,1|C<3>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(COO){2|H<1>}	106.0850	0.000	1	106.0850	0.000	1	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ru<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ru<6>,1|C<3>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CHN){2|H<1>}	105.8443	0.762	3	105.8443	0.581	3	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Tc)(C[5]N[5]H)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Tc<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Tc<6>,1|C<3>}	C[5](N[5]C[5]Tc)(C[5]N[5]H)(COO){2|H<1>}	106.1030	0.000	1	106.1030	0.000	1	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Zn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Zn<6>,1|C<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(CHN){2|H<1>}	105.6140	0.675	2	105.6140	0.455	2	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Co<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Co<6>,3|C<3>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN){1|C<3>,1|H<1>}	106.4700	0.105	3	106.4700	0.011	3	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Cu<5>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<5>,3|C<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN){1|C<3>,1|H<1>}	106.3110	0.000	1	106.3110	0.000	1	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Fe<6>,3|C<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN){1|C<3>,1|H<1>}	105.9086	1.231	7	105.9086	1.516	7	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Mn<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Mn<6>,3|C<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CHN){1|C<3>,1|H<1>}	105.8170	0.505	3	105.8170	0.255	3	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ni<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ni<6>,3|C<3>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHN){1|C<3>,1|H<1>}	104.9790	1.092	9	104.9790	1.192	9	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Zn<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Zn<6>,3|C<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(CHN){1|C<3>,1|H<1>}	106.2520	0.347	3	106.2520	0.121	3	105.8582	1.522	169	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Co<6>,1|H<1>,2|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Co<6>,1|C<3>}	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	105.9360	0.000	1	105.9360	0.000	1	105.6967	0.178	3	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]2)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|Mn<6>,1|H<1>,2|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Mn<6>,1|C<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]2)(C[5]N[5]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	105.5770	0.520	2	105.5770	0.271	2	105.6967	0.178	3	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:P-3:	C[5](C[5]N[5]P)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(PC[5]2)	C[5](C[5]N[5]P)(N[5]C[5]H)(H){1|Fe<5>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Fe<5>,1|P<3>,2|C<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(PC[5]2){1|C<3>,1|H<1>}	106.3867	0.338	6	106.3923	0.080	9	106.3923	0.080	9	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:P-3:	C[5](C[5]N[5]P)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(PC[5]2)	C[5](C[5]N[5]P)(N[5]C[5]H)(H){1|Fe<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|P<3>,2|C<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(PC[5]2){1|C<3>,1|H<1>}	106.4037	0.183	3	106.3923	0.080	9	106.3923	0.080	9	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:P-3:C[5]-3:	C[5](C[5]N[5]P)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[5]Co)(PC[5a]C[5])(C[5]N[5]H)	C[5](C[5]N[5]P)(N[5]C[5]H)(H){1|Co<5>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Co<5>,1|P<3>}	C[5](N[5]C[5]Co)(PC[5a]C[5])(C[5]N[5]H){1|C<4>,1|H<1>}	106.9495	0.132	2	106.9495	0.017	2	106.9495	0.017	2	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|N<3>}	C[5](C[5]N[5]H)(C[5]N[5]N)(COO){2|H<1>}	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(N[5]N[5]H)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|H<1>,2|N<2>,2|N<3>}	108.6430	0.000	1	108.1519	0.122	28	108.1519	0.122	28	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[5]2)(C[5]N[5]H)2	C[5](C[5]C[5]2)(N[5]N[5]H)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]2)(C[5]N[5]H)2{2|N<3>,4|H<1>}	108.1337	0.343	27	108.1519	0.122	28	108.1519	0.122	28	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|N<2>,1|N<3>,4|H<1>}	108.9350	0.336	4	108.9350	0.113	4	108.9350	0.113	4	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{2|C<3>,4|H<1>}	107.4385	0.903	2	107.4385	0.815	2	107.4385	0.815	2	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(H)	N[5](N[5]C[5]Li)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(H){1|Li<4>,1|H<1>}	N[5](N[5]C[5]Li)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)2(COO){1|Li<4>,1|H<1>}	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5](C[5]C[5]C[6])(N[5]N[5]H)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(C[6]C[6]2)	C[5](C[5]C[5]C[6])(N[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)2(C[6]C[6]2){1|Co<6>,2|C<3>,3|H<1>}	106.9530	0.061	3	106.9530	0.004	3	106.9530	0.004	3	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]N[5]H)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(NOO)	C[5](C[5]C[5]N)(N[5]N[5]H)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]H)2(NOO){1|Ru<6>,1|H<1>}	105.9470	0.000	1	105.9470	0.000	1	105.9470	0.000	1	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]H)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]H)(O){1|S<2>,3|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	107.1665	0.073	2	107.1665	0.005	2	107.1665	0.005	2	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	106.6492	0.272	13	106.6492	0.074	13	107.0178	0.296	70	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|Cl<1>,1|H<1>,2|C<3>}	106.9380	0.000	1	107.0560	0.133	7	107.0178	0.296	70	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	107.0757	0.396	6	107.0560	0.133	7	107.0178	0.296	70	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN){2|C<3>,2|H<1>}	107.8453	0.281	12	107.8453	0.079	12	107.0178	0.296	70	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	106.9124	0.542	15	106.9124	0.294	15	107.0178	0.296	70	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]C){2|C<3>,2|H<1>}	107.0800	0.000	1	107.0800	0.000	1	107.0178	0.296	70	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	107.1194	0.487	5	107.1194	0.237	5	107.0178	0.296	70	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2){2|C<3>,2|H<1>}	106.1310	0.000	1	106.1310	0.000	1	107.0178	0.296	70	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){2|C<3>,2|H<1>}	106.6875	0.095	2	106.6875	0.009	2	107.0178	0.296	70	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	106.8144	0.276	14	106.8144	0.076	14	107.0178	0.296	70	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]N[5]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	107.3950	0.000	1	107.3950	0.000	1	107.3950	0.000	1	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	106.9850	0.170	4	106.9965	0.351	6	106.9965	0.351	6	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	107.0195	1.290	2	106.9965	0.351	6	106.9965	0.351	6	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCO)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCO){2|C<3>,2|H<1>}	104.3550	0.000	1	104.3550	0.000	1	105.3650	0.504	5	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPdN)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPdN){2|C<3>,2|H<1>}	105.3600	0.588	2	105.3600	0.346	2	105.3650	0.504	5	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPtN)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPtN){2|C<3>,2|H<1>}	105.8750	0.358	2	105.8750	0.128	2	105.3650	0.504	5	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|O<2>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O){1|C<3>,1|H<1>}	107.3785	0.060	2	107.3785	0.004	2	106.4652	0.356	10	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCC)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<2>,1|O<1>}	N[5](C[5]C[5]O)2(H){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCC){1|H<1>,1|O<1>}	106.2815	0.448	6	106.2813	0.167	7	106.4652	0.356	10	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCC)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCC){1|H<1>,1|O<1>}	106.2800	0.000	1	106.2813	0.167	7	106.4652	0.356	10	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[5a]C)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(H){2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[5a]C){1|H<1>,1|O<1>}	105.9260	0.000	1	105.9260	0.000	1	106.4652	0.356	10	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	N[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|N<2>,3|C<3>}	N[5](C[5]C[5]N)(C[5]C[5]O)(H){2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|N<2>,3|H<1>,4|C<3>}	106.5460	0.000	1	106.5460	0.000	1	106.7164	0.238	8	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(H){2|C<3>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	106.3530	0.000	1	106.3530	0.000	1	106.7164	0.238	8	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(H){2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	106.8053	0.540	6	106.8053	0.292	6	106.7164	0.238	8	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[5a]H)	C[5](C[5]N[5]C)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[5a]H){1|H<1>,1|O<1>}	105.2715	0.378	2	105.2715	0.143	2	105.5575	0.262	4	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H)	C[5](C[5]N[5]C)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>}	105.8435	0.561	2	105.8435	0.314	2	105.5575	0.262	4	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O){1|Br<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)2(H){1|Br<1>,1|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	106.6000	0.000	1	106.6000	0.000	1	106.6726	0.427	12	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(H){2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	106.4683	0.760	6	106.4683	0.578	6	106.6726	0.427	12	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(H){2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	106.6140	0.000	1	106.6140	0.000	1	106.6726	0.427	12	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O){1|O<1>,1|S<2>,2|C<3>}	N[5](C[5]C[5]O)2(H){2|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	107.0118	0.604	4	107.0118	0.365	4	106.6726	0.427	12	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]N[5]O)2(CHN)	C[5](C[5]C[5]C)(N[5]N[5]H)(O){1|C<3>,1|O<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|O<1>,3|C<3>}	C[5](C[5]N[5]O)2(CHN){1|C<3>,1|H<1>}	107.0780	0.259	3	107.0780	0.067	3	107.0780	0.067	3	106.4671	1.425	397	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-3:C-4:	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]H)(H){2|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){2|C<3>,2|H<1>}	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	107.1675	0.231	4	107.1675	0.053	4	107.5577	0.624	122	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	106.1010	0.000	1	106.1010	0.000	1	107.5577	0.624	122	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|C<4>,1|H<1>}	107.9710	0.000	1	107.9710	0.000	1	107.5577	0.624	122	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	107.5499	0.917	77	107.5499	0.841	77	107.5577	0.624	122	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6]HH){2|H<1>}	107.5725	0.029	2	107.5725	0.001	2	107.5577	0.624	122	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]2H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]2H){2|H<1>}	107.5908	0.455	6	107.5908	0.207	6	107.5577	0.624	122	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){2|H<1>}	107.6756	0.480	30	107.6756	0.230	30	107.5577	0.624	122	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CHHO)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CHHO){2|H<1>}	107.0000	0.000	1	107.0000	0.000	1	107.5577	0.624	122	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Co<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Co<6>,1|C<4>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(CCHH){2|H<1>}	106.3525	1.158	2	106.3525	1.340	2	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Cu<5>,1|C<4>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH){2|H<1>}	106.7995	0.198	6	106.7995	0.039	6	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Fe<5>,1|C<4>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH){2|H<1>}	106.7703	0.344	6	107.0820	1.317	28	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCHH){2|H<1>}	107.1670	1.277	22	107.0820	1.317	28	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Fe<5>,1|C<4>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN){2|H<1>}	106.0410	0.000	1	105.4505	0.697	2	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Fe<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN){2|H<1>}	104.8600	0.000	1	105.4505	0.697	2	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Mn<6>,1|C<4>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CCHH){2|H<1>}	106.9860	0.000	1	106.9860	0.000	1	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Mo<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Mo<6>,1|C<4>}	C[5](N[5]C[5]Mo)(C[5]N[5]H)(CCHH){2|H<1>}	106.4485	0.111	2	106.4485	0.012	2	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ni<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ni<4>,1|C<4>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH){2|H<1>}	106.5530	0.000	1	107.0283	0.723	6	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ni<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ni<6>,1|C<4>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CCHH){2|H<1>}	107.1234	0.915	5	107.0283	0.723	6	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ni<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ni<6>,1|C<4>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHHN){2|H<1>}	105.8700	0.000	1	105.8700	0.000	1	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Re)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Re<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Re<6>,1|C<4>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(CCHH){2|H<1>}	106.7947	1.411	3	106.7947	1.991	3	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Ru<9>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Ru<9>,1|C<4>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CCHH){2|H<1>}	106.5880	0.000	1	106.5880	0.000	1	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Mn<6>,1|C<3>}	N[5](C[5]N[5]Mn)(C[5]C[5]H)(H){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	106.6810	0.000	1	106.6810	0.000	1	106.8731	1.017	53	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H)	C[5](C[5]N[5]H)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]H)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)2(CH3){1|Ru<6>,1|H<1>}	108.0027	0.028	3	108.0027	0.001	3	108.0027	0.001	3	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	106.9345	0.234	4	106.9345	0.055	4	106.7561	0.129	17	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	106.7990	0.000	1	106.7990	0.000	1	106.7561	0.129	17	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>}	106.3315	0.278	2	106.3315	0.077	2	106.7561	0.129	17	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	106.7807	0.434	8	106.7807	0.188	8	106.7561	0.129	17	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	106.7035	0.097	2	106.7035	0.009	2	106.7561	0.129	17	107.3228	0.833	196	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]FeC)(CC[5a]C[6a])(C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(H){1|Fe<5>,1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Fe<5>,1|C<3>,1|C<4>}	C[5](C[5]C[5]FeC)(CC[5a]C[6a])(C[5]N[5]H){1|C<3>,1|H<1>}	108.8940	0.000	1	108.8940	0.000	1	108.8825	0.000	2	106.9940	1.968	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]LiH)(CC[5a]C[6a])(C[5]N[5]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(H){1|Li<5>,1|C<3>,1|H<2>}	N[5](C[5]C[5]C)(C[5]C[5]H)(H){1|Li<5>,1|C<3>,1|H<2>}	C[5](C[5]C[5]LiH)(CC[5a]C[6a])(C[5]N[5]H){1|C<3>,1|H<1>}	108.8710	0.000	1	108.8710	0.000	1	108.8825	0.000	2	106.9940	1.968	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[6]-4:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](C[6]N[6]2H)(N[5]C[5]Cu)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]C[5]H)(H){1|Cu<5>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(H){1|Cu<5>,1|C<4>}	C[5](C[6]N[6]2H)(N[5]C[5]Cu)(C[5]N[5]H){2|H<1>,4|C<4>}	107.0620	0.000	1	107.0620	0.000	1	106.2903	1.322	3	106.9940	1.968	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[6]-4:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]C[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[6]N[6]2H)(N[5]C[5]Fe)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]C[5]H)(H){1|Fe<6>,2|H<1>,2|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	C[5](C[6]N[6]2H)(N[5]C[5]Fe)(C[5]N[5]H){1|N<3>,2|C<3>,3|H<1>}	105.9045	1.323	2	105.9045	1.750	2	106.2903	1.322	3	106.9940	1.968	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)2(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|H<1>,1|O<1>}	107.4660	0.000	1	107.4660	0.000	1	107.4660	0.000	1	106.9940	1.968	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]C[5]H)(O)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]2Fe)(C[5]C[5]2)(C[5]N[5]O)	C[5](C[5]C[5]2)(N[5]C[5]H)(O){1|Fe<10>,1|O<1>,3|C<4>}	N[5](C[5]C[5]O)2(H){2|C<4>}	C[5](C[5]C[5]2Fe)(C[5]C[5]2)(C[5]N[5]O){1|Fe<10>,1|O<1>,3|H<1>,4|C<4>}	105.9250	0.072	2	105.9250	0.005	2	105.9250	0.005	2	106.9940	1.968	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]C[5]N)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(NC)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H)	C[5](C[5]N[5]C)(N[5]C[5]N)(O){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(NC){3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|N<2>}	102.2065	0.086	2	102.2065	0.007	2	102.2065	0.007	2	102.2065	0.007	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<2>,1|C<4>}	107.4750	0.000	1	107.4750	0.000	1	107.3933	1.218	6	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<2>,1|H<1>}	108.6470	0.000	1	108.6470	0.000	1	107.3933	1.218	6	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5])	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<2>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]){1|C<2>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<2>}	106.2240	0.000	1	106.2240	0.000	1	107.3933	1.218	6	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a])	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<2>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]){1|C<2>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<2>}	107.6850	0.000	1	107.6850	0.000	1	107.3933	1.218	6	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a])	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<2>}	107.1645	1.719	2	107.1645	2.955	2	107.3933	1.218	6	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]N)(H)	N[5](C[5]C[5]H)(C[5]N[5]I)(NC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]N)(H){1|C<4>,1|I<1>}	N[5](C[5]C[5]H)(C[5]N[5]I)(NC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|I<1>,1|N<2>}	105.1260	0.000	1	105.1260	0.000	1	106.4213	1.308	3	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]N)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(NC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]N)(H){1|C<3>,1|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(NC){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|N<2>}	107.0690	0.314	2	107.0690	0.099	2	106.4213	1.308	3	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-2:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]N)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(NC)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]N)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(NC){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|C<3>}	107.4555	0.825	4	107.4555	0.681	4	106.9702	0.977	6	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-2:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]N)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(NC)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]N)(H){1|Ni<4>,1|C<3>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(NC){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|N<2>,2|C<3>}	105.9995	0.117	2	105.9995	0.014	2	106.9702	0.977	6	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]O)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(OC)	C[5](C[5]N[5]H)(N[5]C[5]O)(H)	C[5](C[5]N[5]H)(N[5]C[5]O)(H){1|C<4>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]C)(OC){1|H<1>,1|O<2>}	C[5](C[5]N[5]H)(N[5]C[5]O)(H){1|C<4>,1|O<2>}	106.4035	0.439	2	106.4035	0.193	2	105.9391	0.473	8	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]O)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(OC)	C[5](C[5]N[5]H)(N[5]C[5]O)(H)	C[5](C[5]N[5]H)(N[5]C[5]O)(H){1|H<1>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]H)(OC){1|H<1>,1|O<2>}	C[5](C[5]N[5]H)(N[5]C[5]O)(H){1|H<1>,1|O<2>}	105.9790	1.211	2	105.9790	1.465	2	105.9391	0.473	8	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]O)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(OH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]O)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(OH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|O<2>}	105.2290	0.287	2	105.2290	0.082	2	105.9391	0.473	8	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]O)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(OC)	C[5](C[5]N[5]H)(N[5]C[5]O)(H)	C[5](C[5]N[5]H)(N[5]C[5]O)(H){1|O<2>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(OC){1|H<1>,1|O<2>}	C[5](C[5]N[5]H)(N[5]C[5]O)(H){1|O<2>,1|S<2>}	106.1450	0.206	2	106.1450	0.043	2	105.9391	0.473	8	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]O)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(OC)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]O)(H){1|Pd<4>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(OC){1|Pd<4>,1|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<3>,1|O<2>}	105.3810	0.000	1	105.3810	0.000	1	105.3810	0.000	1	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:Br-1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:Br-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Br)(Br)	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Br)(Br)	C[5](N[5]C[6a]C[5])(C[5]N[5]Br)(Br){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5]){1|Br<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Br)(Br){3|C<3>}	106.9125	0.371	2	106.9125	0.138	2	106.9125	0.138	2	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]Cl)(H)	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(Cl){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(N[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]N[5]Cl)(H){3|C<3>}	106.2340	0.000	1	106.2340	0.000	1	106.2340	0.000	1	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	106.1168	0.348	6	106.1131	0.101	7	106.1778	0.233	10	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	106.0910	0.000	1	106.1131	0.101	7	106.1778	0.233	10	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|C<3>}	107.2890	0.000	1	107.2890	0.000	1	106.1778	0.233	10	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5])	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	105.8485	0.124	2	105.8485	0.015	2	106.1778	0.233	10	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|N<2>,2|C<3>}	106.2532	0.189	6	106.5533	0.452	20	106.4659	0.389	26	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){3|C<3>}	106.6819	0.767	14	106.5533	0.452	20	106.4659	0.389	26	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){3|C<3>}	106.1747	0.307	6	106.1747	0.094	6	106.4659	0.389	26	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(H){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|C<3>}	105.2680	0.000	1	105.2680	0.000	1	105.2680	0.000	1	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]N[5])(C[5]N[5]Cl)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(Cl)	C[5](N[5]C[6a]N[5])(C[5]N[5]Cl)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cl<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(Cl){3|C<3>}	105.0620	0.000	1	105.0620	0.000	1	105.0620	0.000	1	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:P[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5])	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){3|C<3>}	111.6960	0.235	13	111.6960	0.055	13	111.6960	0.055	13	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]S[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]N[5])	C[5](N[5]C[6a]S[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]S[5])(C[5]N[5]H)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]N[5]){3|C<3>,3|H<1>}	C[5](N[5]C[6a]S[5])(C[5]N[5]H)(H){3|C<3>}	111.7885	0.012	2	111.7885	0.000	2	111.7885	0.000	2	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Se[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]N[5])	C[5](N[5]C[6a]Se[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Se[5])(C[5]N[5]H)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Se[5])(C[5]N[5]H)(H){3|C<3>}	114.1850	0.000	1	114.1850	0.000	1	114.1850	0.000	1	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:Si[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Si[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Si[5]N[5])	C[5](N[5]C[6a]Si[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Si[5])(C[5]N[5]H)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Si[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Si[5])(C[5]N[5]H)(H){3|C<3>}	112.8050	0.096	2	112.8050	0.009	2	112.8050	0.009	2	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:I-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:I-1:	C[5](N[5]C[6a]N[5])(C[5]N[5]I)(I)	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]I)(I)	C[5](N[5]C[6a]N[5])(C[5]N[5]I)(I){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){1|I<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]N[5]I)(I){3|C<3>}	105.1179	0.728	8	105.1179	0.530	8	105.1179	0.530	8	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(H){1|C<3>}	105.3590	0.000	1	105.3590	0.000	1	105.3590	0.000	1	107.3950	5.897	92	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:N-2:	C[5](N[5]C[6a]N[5])(C[5]N[5]N)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(NC)	C[5](N[5]C[6a]N[5])(C[5]N[5]N)(H){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(NC){1|C<3>}	106.0030	0.000	1	106.0030	0.000	1	106.0030	0.000	1	103.5995	1.005	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|F<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|C<3>}	103.1090	0.038	2	103.3570	0.039	8	103.2024	0.138	10	103.5995	1.005	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|C<3>}	103.4890	0.121	4	103.3570	0.039	8	103.2024	0.138	10	103.5995	1.005	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|C<3>}	103.3410	0.185	2	103.3570	0.039	8	103.2024	0.138	10	103.5995	1.005	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(O)	N[5](C[6a]N[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(NN)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(O){1|C<4>,2|N<2>}	N[5](C[6a]N[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NN){1|C<3>}	102.5840	0.110	2	102.5840	0.012	2	103.2024	0.138	10	103.5995	1.005	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:S-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]S)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(SC[6a])	C[5](N[5]C[6a]N[5])(C[5]C[5]S)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(SC[6a]){1|C<3>}	105.1670	0.000	1	105.1670	0.000	1	105.1670	0.000	1	103.5995	1.005	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6]-3:N[5]-2:	C[5]-3:C[6]-3:N[5]-3:	C[5](C[5]C[6]N[5])(N[5]C[6]N[5])(H)	N[5](C[5]C[5]H)(C[6]C[6]2)(N[5]N[5])	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C)	C[5](C[5]C[6]N[5])(N[5]C[6]N[5])(H){1|C<4>,4|C<3>}	N[5](C[5]C[5]H)(C[6]C[6]2)(N[5]N[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C){1|H<1>,1|O<1>,3|C<3>}	107.1540	0.000	1	107.1540	0.000	1	107.1540	0.000	1	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|H<1>,1|O<2>,3|C<3>}	106.0110	0.000	1	105.9133	0.120	3	105.9133	0.120	3	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){2|H<1>,3|C<3>}	105.8645	0.474	2	105.9133	0.120	3	105.9133	0.120	3	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|Ir<8>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(N[5]N[5]){1|Ir<8>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H){1|H<1>,3|C<3>}	105.9630	0.000	1	105.9630	0.000	1	105.7926	0.034	5	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|Cu<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cu<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|H<1>,1|N<3>,3|C<3>}	105.5370	0.000	1	105.5370	0.000	1	105.7926	0.034	5	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Mo)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|Mo<6>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Mo<6>,1|H<1>,1|P<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mo)(C[5]N[5]H){1|H<1>,1|P<4>,3|C<3>}	105.9120	0.000	1	105.9120	0.000	1	105.7926	0.034	5	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|Zn<5>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Zn<5>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H){1|H<1>,1|N<3>,3|C<3>}	105.7755	0.169	2	105.7755	0.029	2	105.7926	0.034	5	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:I-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(I)	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(I){1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){2|H<1>,3|C<3>}	105.0775	0.142	2	105.0775	0.020	2	105.0775	0.020	2	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:I-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(I)	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]I)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(I){5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){2|C<4>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]I){2|H<1>,5|C<3>}	105.3430	0.000	1	105.3430	0.000	1	105.3430	0.000	1	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C-3:C[5]-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]O)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]P[6])(C[5]N[5]O)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]O)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]P[6])(C[5]N[5]O){1|H<1>,1|O<2>,2|C<3>}	104.9305	0.227	2	104.9305	0.052	2	104.9305	0.052	2	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(S){1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5]){3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C){2|H<1>,3|C<3>}	102.9050	0.000	1	102.9050	0.000	1	102.9050	0.000	1	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:Se-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(Se)	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(Se){1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5]){3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){2|H<1>,3|C<3>}	103.2890	0.000	1	103.2890	0.000	1	103.2890	0.000	1	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:P-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|P<3>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2){3|C<3>}	107.2340	0.000	1	107.2340	0.000	1	107.2115	0.001	2	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:P-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|P<3>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]C){3|C<3>}	107.1890	0.000	1	107.1890	0.000	1	107.2115	0.001	2	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,2|O<2>,3|C<3>}	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	106.1440	0.000	1	106.1440	0.000	1	105.9935	0.045	2	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|C<4>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	105.8430	0.000	1	105.8430	0.000	1	105.9935	0.045	2	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]2)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]2){1|C<3>}	107.8300	0.000	1	107.8300	0.000	1	107.0172	0.485	6	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<3>}	107.1347	0.397	3	107.1105	0.107	4	107.0172	0.485	6	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<3>}	107.0380	0.000	1	107.1105	0.107	4	107.0172	0.485	6	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]N)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]N){1|C<3>}	105.8310	0.000	1	105.8310	0.000	1	107.0172	0.485	6	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[5,5]P[5])(N[5]N[5]Pd)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|Pd<4>,1|P<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]P[5])(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,4|C<3>}	104.7940	0.000	1	104.7940	0.000	1	104.5669	0.069	9	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|Ir<8>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ir<8>,2|C<4>,3|C<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	104.3195	0.235	2	104.3195	0.055	2	104.5669	0.069	9	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|Ru<6>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<6>,2|C<4>,3|C<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	104.7840	0.055	2	104.6115	0.062	6	104.5669	0.069	9	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|Ru<9>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<9>,2|C<4>,3|C<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	104.5252	0.270	4	104.6115	0.062	6	104.5669	0.069	9	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:N-3:	C[5](N[5]C[6a]N[5])(C[5]N[5]N)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(NCH)	C[5](N[5]C[6a]N[5])(C[5]N[5]N)(H){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(NCH){1|C<3>}	104.9730	0.000	1	104.9730	0.000	1	104.9730	0.000	1	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Cu<4>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cu<4>,1|H<1>,1|S<2>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H){1|H<1>,3|C<3>}	105.5110	0.000	1	104.8307	0.308	4	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Cu<6>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cu<6>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H){1|H<1>,3|C<3>}	104.6040	0.392	3	104.8307	0.308	4	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ir<6>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){1|H<1>,3|C<3>}	104.0570	0.000	1	104.2925	0.111	2	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ir<8>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ir<8>,2|C<4>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){1|H<1>,3|C<3>}	104.5280	0.000	1	104.2925	0.111	2	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pd<4>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H){1|H<1>,3|C<3>}	104.8050	0.182	3	104.8050	0.033	3	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pt<4>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pt<4>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|H<1>,3|C<3>}	104.2157	0.176	3	104.4638	0.267	4	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pt<6>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pt<6>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|H<1>,3|C<3>}	105.2080	0.000	1	104.4638	0.267	4	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Re<6>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Re<6>,2|C<4>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H){1|H<1>,3|C<3>}	104.2410	0.000	1	105.0177	0.494	3	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Re<6>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Re<6>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H){1|H<1>,3|C<3>}	105.4060	0.288	2	105.0177	0.494	3	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<6>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H){1|H<1>,3|C<3>}	104.6770	0.000	1	104.4980	0.064	2	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<9>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<9>,2|C<4>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H){1|H<1>,3|C<3>}	104.3190	0.000	1	104.4980	0.064	2	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Co<6>,1|N<2>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|Co<6>,1|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]N[5]H){1|H<1>,3|C<3>}	104.2490	0.000	1	104.2490	0.000	1	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|Cu<4>,1|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H){1|H<1>,3|C<3>}	104.8105	0.448	2	104.8105	0.200	2	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|Pt<4>,1|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|H<1>,3|C<3>}	104.1930	0.000	1	104.1930	0.000	1	104.6495	0.220	22	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]H){3|C<3>}	104.6580	0.000	1	104.6580	0.000	1	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(CCC)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCC){1|C<3>}	103.5740	0.000	1	103.5740	0.000	1	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(CCH)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCH){1|C<3>}	105.3170	0.069	2	105.3170	0.005	2	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN){1|C<3>}	105.2131	0.307	7	105.2131	0.094	7	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(CCO)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCO){1|C<3>}	106.1464	0.477	8	106.1464	0.227	8	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]C){1|C<3>}	105.2045	1.299	2	105.2045	1.687	2	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H){1|C<3>}	104.0930	0.000	1	105.2610	2.728	2	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H){1|C<3>}	106.4290	0.000	1	105.2610	2.728	2	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]N)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]N){1|C<3>}	104.7837	0.154	6	104.7837	0.024	6	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]C){1|C<3>}	104.7160	0.000	1	104.7160	0.000	1	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N){1|C<3>}	104.8001	0.409	42	104.8001	0.168	42	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]O){1|C<3>}	106.5445	1.130	4	106.5445	1.277	4	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]C)(C[5]N[5]O)(CHN)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CHN){1|C<3>}	104.0477	0.579	6	104.0477	0.335	6	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]N)(C[5]N[5]O)(CCC)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5]N)(C[5]N[5]O)(CCC){1|C<3>}	105.3230	0.000	1	105.3230	0.000	1	105.0153	0.605	83	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]2)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]2)(O){1|C<4>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	104.4800	0.000	1	104.4800	0.000	1	104.0935	0.299	2	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]2)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]N[5]S[5])(C[5]N[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]2)(O){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]S[5])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,3|C<3>}	103.7070	0.000	1	103.7070	0.000	1	104.0935	0.299	2	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C[6])(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[6]C[6]N[6])(C[5]N[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]C[6])(O){1|C<4>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|N<3>,3|C<3>}	104.9140	0.547	2	104.9140	0.300	2	104.4903	0.688	3	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[6]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C[6])(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[6]C[6]O[6])(C[5]N[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]C[6])(O){1|C<4>,1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6]C[6]O[6])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,3|C<3>}	103.6430	0.000	1	103.6430	0.000	1	104.4903	0.688	3	105.0700	0.823	146	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:Si-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl2N)	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|Si<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl2N){3|C<3>}	107.6340	0.000	1	107.6340	0.000	1	107.9210	0.165	2	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:Si-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl3)	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|Si<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl3){3|C<3>}	108.2080	0.000	1	108.2080	0.000	1	107.9210	0.165	2	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH){1|C<3>}	105.8180	0.000	1	105.8180	0.000	1	106.0585	0.056	4	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN){1|C<3>}	106.0800	0.000	1	106.0800	0.000	1	106.0585	0.056	4	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,4|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH){1|C<3>}	106.1680	0.293	2	106.1680	0.086	2	106.0585	0.056	4	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CHHN)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CHHN){3|C<3>}	106.0500	0.000	1	106.0500	0.000	1	105.0393	0.172	19	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Co<5>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN){1|C<3>}	105.0567	0.175	3	105.0567	0.031	3	105.0393	0.172	19	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHN)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<6>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Fe<6>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHN){1|C<3>}	104.3650	0.000	1	104.3650	0.000	1	105.0393	0.172	19	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ir<8>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ir<8>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<3>}	104.4330	0.000	1	104.4330	0.000	1	105.0393	0.172	19	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Mn)(C[5]N[5]H)(CHHN)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Mn<6>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Mn)(C[5]N[5]H)(CHHN){1|C<3>}	105.3695	0.064	2	105.3695	0.004	2	105.0393	0.172	19	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CCCN)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Pd<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CCCN){1|C<3>}	104.8565	0.149	2	104.8565	0.022	2	105.0393	0.172	19	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHS)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Pd<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,2|C<3>,3|C<4>}	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHS){1|C<3>}	104.8695	0.685	2	104.8695	0.469	2	105.0393	0.172	19	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CSeHH)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Pd<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,2|C<3>,3|C<4>}	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CSeHH){1|C<3>}	105.0820	0.414	2	105.0820	0.172	2	105.0393	0.172	19	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Rh<8>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<3>}	105.1520	0.000	1	105.1520	0.000	1	105.0393	0.172	19	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ru<9>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<9>,2|C<3>,3|C<4>}	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS){1|C<3>}	105.2820	0.000	1	105.2820	0.000	1	105.0393	0.172	19	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ru<9>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<9>,2|C<3>,3|C<4>}	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH){1|C<3>}	104.9080	0.000	1	104.9080	0.000	1	105.0393	0.172	19	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<6>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Zn<6>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN){1|C<3>}	105.0155	0.282	2	105.0155	0.080	2	105.0393	0.172	19	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:P-4:	C[5](N[5]C[6a]N[5])(C[5]N[5]P)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Mo)(C[5]N[5]H)(PC[5]2W)	C[5](N[5]C[6a]N[5])(C[5]N[5]P)(H){1|Mo<6>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Mo<6>,1|P<4>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Mo)(C[5]N[5]H)(PC[5]2W){1|C<3>}	105.0493	0.410	3	105.0493	0.168	3	105.0493	0.168	3	105.3918	0.779	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]N)(H)	N[5](C[5]C[5]H)(C[5]C[5]O)(NW)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]N)(H){1|O<1>,2|H<1>}	N[5](C[5]C[5]H)(C[5]C[5]O)(NW){3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H){1|N<2>,1|O<1>}	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	4:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	C[5]-4:N[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[5](C[5]C[5,6]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){3|C<3>,3|C<4>}	C[5](C[5]C[5,6]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]H){4|C<3>,4|C<4>}	107.0770	0.000	1	107.0770	0.000	1	107.0770	0.000	1	106.2907	0.549	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:2:	4:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[5]-3:N[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|Fe<10>,2|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,4|C<4>}	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	105.8975	0.414	2	105.8975	0.171	2	105.8975	0.171	2	106.2907	0.549	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]N)(COO)	C[5](C[5]N[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(H){1|N<2>}	N[5](C[5]C[5]H)(C[5]S[5]N)(COO){1|H<1>}	C[5](C[5]N[5]H)(S[5]C[5])(H){1|C<3>,1|N<2>}	114.4590	0.072	2	114.4590	0.005	2	114.4590	0.005	2	114.1020	0.385	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[5]S[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]S[5]S)	C[5](C[5]N[5]H)(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]H)(H){1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]S[5]S){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(S[5]C[5])(H){1|C<3>,1|S<1>}	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	114.1020	0.385	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]C[5]N)(O)	N[5](C[5]C[5]O)(C[5]N[5]N)(NHH)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](C[5]N[5]C)(N[5]C[5]N)(O){1|N<3>}	N[5](C[5]C[5]O)(C[5]N[5]N)(NHH){1|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|N<3>}	102.6530	0.000	1	102.6530	0.000	1	102.6530	0.000	1	103.2566	0.392	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	N[5](C[5]N[5]N[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|N<3>,2|C<3>}	N[5](C[5]N[5]N[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|N<3>}	103.5810	0.000	1	103.5810	0.000	1	103.8130	0.108	2	103.2566	0.392	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	N[5](C[5]N[5]N[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|N<3>,2|C<3>}	N[5](C[5]N[5]N[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|N<3>}	104.0450	0.000	1	104.0450	0.000	1	103.8130	0.108	2	103.2566	0.392	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]C){2|H<1>,3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	103.1367	0.668	3	103.1890	0.308	4	103.1032	0.249	12	103.2566	0.392	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]C)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]C){2|H<1>,3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<3>}	103.3460	0.000	1	103.1890	0.308	4	103.1032	0.249	12	103.2566	0.392	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){2|H<1>,3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|N<3>}	103.5723	0.340	3	103.5723	0.116	3	103.1032	0.249	12	103.2566	0.392	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S){2|H<1>,3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6]H){1|C<3>,1|S<2>}	102.4990	0.000	1	102.4990	0.000	1	103.1032	0.249	12	103.2566	0.392	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S){2|H<1>,3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|S<2>}	102.8845	0.244	2	102.8845	0.060	2	103.1032	0.249	12	103.2566	0.392	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|Se<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|Se<2>,1|C<3>}	102.5080	0.000	1	102.7485	0.116	2	103.1032	0.249	12	103.2566	0.392	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|Se<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|Se<2>,1|C<3>}	102.9890	0.000	1	102.7485	0.116	2	103.1032	0.249	12	103.2566	0.392	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]O[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]O[5]C)(O){1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|H<1>,3|C<3>}	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H){1|C<3>,1|O<1>}	104.5880	0.000	1	104.5880	0.000	1	104.5880	0.000	1	103.2566	0.392	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Se<2>,1|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,1|B<3>,2|C<3>}	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CHH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CHH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	107.3540	0.000	1	107.3540	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.8173	0.257	3	106.8173	0.066	3	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	106.4270	0.000	1	106.4270	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	107.6646	0.887	7	107.6646	0.786	7	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	107.6700	0.000	1	107.6700	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	107.0820	0.163	2	107.0820	0.026	2	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CHH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	110.1480	0.000	1	110.1480	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[6]O)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[6]O){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	107.4880	0.000	1	107.4880	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	107.1960	0.062	2	107.1960	0.004	2	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|S<1>}	107.2080	0.000	1	107.2080	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(COO)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(COO){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	107.3360	0.000	1	107.3360	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(COO)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(COO){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|S<1>}	107.5200	0.000	1	107.5200	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CPdN)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CPdN){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<2>}	106.6250	0.206	2	106.6250	0.043	2	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]H)(CC[6a]N)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ge<5>,1|C<3>}	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]H)(CC[6a]N){1|C<3>,1|H<1>,4|O<2>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ge<5>,1|C<3>}	106.8130	0.020	2	106.8130	0.000	2	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCN)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<6>,1|C<4>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<6>,1|C<3>}	105.7490	0.000	1	105.7490	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCN)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<3>}	106.7010	0.000	1	106.7010	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<3>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]N){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<3>}	106.5340	0.382	2	106.5340	0.146	2	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCN)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	106.5050	0.066	2	106.5050	0.004	2	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ge)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ge<2>,1|C<3>}	N[5](C[5]N[5]Ge)(C[5]C[5]H)(CC[6a]N){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ge<2>,1|C<3>}	106.8025	0.227	2	106.8025	0.052	2	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	108.4390	0.000	1	108.4390	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	106.1185	0.873	2	105.8697	0.337	4	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	105.6210	0.047	2	105.8697	0.337	4	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|H<1>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ir<6>,1|C<3>}	105.8570	0.000	1	105.8570	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]N){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	105.4290	0.000	1	105.4290	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	106.2320	0.000	1	106.2320	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]N){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	106.1720	0.138	3	106.1720	0.019	3	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	106.3865	0.039	2	106.3865	0.002	2	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	107.4550	0.000	1	107.4550	0.000	1	106.8958	0.808	48	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCH){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){2|C<3>}	106.7405	0.155	4	106.7405	0.024	4	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	106.7317	0.097	3	106.7317	0.009	3	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	105.1090	0.000	1	105.1090	0.000	1	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|Cu<6>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.2755	0.278	2	107.2755	0.077	2	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|Fe<6>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.1660	0.037	2	106.1660	0.001	2	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|Ni<6>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.3545	0.597	4	106.3545	0.357	4	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN){1|Ir<6>,1|H<1>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.1500	0.000	1	106.1500	0.000	1	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	106.4790	0.000	1	106.4790	0.000	1	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHH)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<7>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CHH){1|Re<7>,1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.1570	0.000	1	107.1570	0.000	1	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCN)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<3>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<3>,3|C<3>}	106.6815	0.534	2	106.6815	0.285	2	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<4>,3|C<3>}	108.3715	1.204	2	107.9507	1.256	3	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,3|C<3>}	107.1090	0.000	1	107.9507	1.256	3	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|Ir<8>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){1|Ir<6>,1|H<1>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|Ir<8>,1|C<3>}	104.9960	0.000	1	105.9180	0.649	3	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|Ir<6>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){1|Ir<6>,1|H<1>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|Ir<6>,1|C<3>}	106.3790	0.153	2	105.9180	0.649	3	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCN)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,3|C<3>}	106.4420	0.000	1	106.4420	0.000	1	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,3|C<3>}	106.4900	0.000	1	106.4900	0.000	1	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCC)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCC){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	105.6175	0.781	2	106.0700	0.920	3	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCC)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCC){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,3|C<3>}	106.9750	0.000	1	106.0700	0.920	3	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCN)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	106.8323	0.357	3	106.8323	0.128	3	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]N){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	106.1510	0.000	1	106.1510	0.000	1	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	106.5090	0.000	1	106.5090	0.000	1	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CCN)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ti<6>,1|C<3>}	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ti<6>,3|C<3>}	105.9630	0.000	1	105.9630	0.000	1	106.5680	0.550	38	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]2)(H){1|N<2>,1|O<1>,2|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<3>,1|O<1>}	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.8205	0.214	2	106.8205	0.046	2	106.2757	0.525	18	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5]H)(C[5]N[5]2)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]2)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.5683	0.315	3	106.5683	0.099	3	106.2757	0.525	18	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	106.4370	0.786	8	106.4370	0.618	8	106.2757	0.525	18	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(C[5]N[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Ru<6>,1|C<4>,2|N<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	105.2520	0.000	1	105.2520	0.000	1	106.2757	0.525	18	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]N[5]S[5])(C[5]N[5]Mo)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Mo<9>,1|C<4>,1|N<3>,1|S<2>}	N[5](C[5]N[5]S[5])(C[5]N[5]Mo)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<3>}	105.4317	0.113	3	105.4317	0.013	3	106.2757	0.525	18	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(C[5]N[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Se<1>,1|C<4>,2|N<2>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(C[5]N[5]2){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	106.5740	0.000	1	106.5740	0.000	1	106.2757	0.525	18	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]N)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]N)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	106.6610	0.000	1	106.6610	0.000	1	106.6415	0.086	4	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]N)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH)	C[5](C[5]N[5]H)(N[5]C[5]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]N)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH){1|H<1>,1|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]N)(H){1|H<1>,1|N<3>}	106.6350	0.359	3	106.6350	0.129	3	106.6415	0.086	4	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:P-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(PCC)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|B<4>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]B)(PCC){1|H<1>,1|P<3>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|B<4>,1|P<3>}	108.1140	0.508	2	108.1140	0.258	2	107.7160	0.364	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:P-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(PCC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(PCC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|P<3>}	107.1070	0.000	1	107.1070	0.000	1	107.7160	0.364	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:P-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(PCC)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Co<3>,1|P<3>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(PCC){1|H<1>,1|P<3>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Co<3>,1|P<3>}	107.4232	0.109	4	107.4232	0.012	4	107.7160	0.364	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:P-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(PCC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Cr<4>,1|C<4>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(PCC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<4>,1|P<3>}	107.2690	0.000	1	107.2690	0.000	1	107.7160	0.364	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:P-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(PCC)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Se<1>,1|P<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(PCC){1|H<1>,1|P<3>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Se<1>,1|P<3>}	108.4315	0.855	2	108.4315	0.731	2	107.7160	0.364	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:P-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(PCC)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Cr<4>,1|C<3>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(PCC){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cr<4>,1|P<3>,2|C<3>}	107.0140	0.361	5	107.0140	0.130	5	107.0140	0.130	5	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](C[5]C[5]H)(N[5]C[5]W)(BN[5]2)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|H<1>,1|W<6>}	N[5](C[5]C[5]H)(N[5]C[5]W)(BN[5]2){2|H<1>}	C[5](C[5]N[5]H)2(H){1|B<3>,1|W<6>}	109.9207	0.705	3	109.9207	0.496	3	109.9207	0.496	3	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]2)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]2){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|B<3>}	108.4812	0.499	6	108.4812	0.249	6	108.7821	0.209	15	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(BN[5]2)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mn<6>,1|H<1>}	N[5](N[5]C[5]Mn)(C[5]C[5]H)(BN[5]2){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|B<3>}	108.5510	0.000	1	108.5510	0.000	1	108.7821	0.209	15	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(BN[5]2)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mo<6>,1|H<1>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(BN[5]2){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mo<6>,1|B<3>}	109.0307	0.345	3	109.0307	0.119	3	108.7821	0.209	15	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(BN[5]2)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<7>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(BN[5]2){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<7>,1|B<3>}	108.9260	0.000	1	108.9260	0.000	1	108.7821	0.209	15	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]2)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]2){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|B<3>}	109.3415	0.060	2	109.3415	0.004	2	108.7821	0.209	15	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]O)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]O){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|B<3>}	108.7965	0.112	2	108.7965	0.013	2	108.7821	0.209	15	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CNN)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(CNN){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<6>,1|C<3>}	106.9405	0.682	2	106.9405	0.466	2	107.6820	0.457	23	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]H)(CN[5]2)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mg<6>,1|H<1>}	N[5](N[5]C[5]Mg)(C[5]C[5]H)(CN[5]2){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mg<6>,1|C<3>}	108.2550	0.404	2	108.2550	0.164	2	107.6820	0.457	23	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCN)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCN){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|C<3>}	108.6625	1.170	2	108.6625	1.370	2	107.6820	0.457	23	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CNN)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CNN){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|C<3>}	107.3373	0.333	9	107.3373	0.111	9	107.6820	0.457	23	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CNS)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<4>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CNS){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<4>,1|C<3>}	107.5330	0.000	1	107.5330	0.000	1	107.6820	0.457	23	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]N)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]N){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|C<3>}	107.3720	0.000	1	107.3720	0.000	1	107.6820	0.457	23	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CCN)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(CCN){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<3>}	107.4050	0.000	1	107.4050	0.000	1	107.6820	0.457	23	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CCO)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|C<3>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(CCO){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Re<6>,1|N<3>,2|C<3>}	107.2950	0.000	1	107.2950	0.000	1	107.6820	0.457	23	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5a]O)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5a]O){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|C<3>}	107.8440	0.000	1	107.8440	0.000	1	107.6820	0.457	23	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<8>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<8>,1|C<3>}	108.4950	0.195	3	108.4950	0.038	3	107.6820	0.457	23	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:P-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]P)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(PN[5]2)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]P)(H){1|Cu<4>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(PN[5]2){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|P<3>}	107.7610	0.388	3	107.7610	0.151	3	107.7610	0.151	3	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CNO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	106.4940	0.000	1	106.4940	0.000	1	106.4940	0.000	1	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCN)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)2(CCN){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	105.5905	0.315	2	105.5905	0.099	2	105.5905	0.099	2	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]2)(O)	N[5](C[5]C[5]N[5])(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]2)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]O)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	106.0345	0.368	4	106.0345	0.135	4	106.0345	0.135	4	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Br-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Br-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Br)(Br)	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5]Ir)	C[5](N[5]C[6a]C[5])(C[5]N[5]Br)(Br)	C[5](N[5]C[6a]C[5])(C[5]N[5]Br)(Br){1|Ir<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5]Ir){1|Br<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Br)(Br){1|Ir<6>,3|C<3>}	107.0832	0.330	4	107.0832	0.109	4	107.0832	0.109	4	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cu)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Cu<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cu){1|Cl<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Cu<2>,3|C<3>}	106.7800	0.178	2	106.7800	0.032	2	107.1185	0.137	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Fe)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Fe<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Fe){1|Cl<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Fe<4>,3|C<3>}	107.0495	0.397	6	107.0495	0.157	6	107.1185	0.137	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]H){1|Cl<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|H<1>,3|C<3>}	107.1810	0.335	2	107.1810	0.112	2	107.1185	0.137	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|P<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P){1|Cl<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|P<2>,3|C<3>}	107.1785	0.585	2	107.2872	0.097	6	107.1185	0.137	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|P<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P){1|Cl<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|P<3>,3|C<3>}	107.3415	0.189	4	107.2872	0.097	6	107.1185	0.137	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Se<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Se){1|Cl<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|Se<1>,3|C<3>}	107.6200	0.000	1	107.6200	0.000	1	107.1185	0.137	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]U)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|U<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]U){1|Cl<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(Cl){1|U<6>,3|C<3>}	106.8450	0.460	2	106.8450	0.211	2	107.1185	0.137	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	As[3,5]-3:C[6a]-3:C[5]-3:	As[3,5]-3:C[5]-3:H-1:	C[5](N[5]As[3,5]C[6a])(C[5]As[3,5]H)(H)	N[5](As[3,5]As[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](As[3,5]As[3,5]N[3])(C[5]N[5]H)(H)	C[5](N[5]As[3,5]C[6a])(C[5]As[3,5]H)(H){1|N<3>,2|C<3>}	N[5](As[3,5]As[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5](As[3,5]As[3,5]N[3])(C[5]N[5]H)(H){2|C<3>}	123.6710	0.000	1	123.6710	0.000	1	123.6710	0.000	1	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	N[5,5]-3:C[5]-3:H-1:	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]H)(H)	N[5](C[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]H)(H){1|B<4>,1|C<4>,2|C<3>}	N[5](C[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	107.0223	0.303	3	107.0223	0.092	3	107.0223	0.092	3	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|B<4>,1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H){1|N<4>,2|C<3>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	107.2330	0.000	1	107.2330	0.000	1	106.9946	0.301	17	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|B<4>,3|C<3>}	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	107.5420	0.000	1	107.5420	0.000	1	106.9946	0.301	17	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<2>,1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<2>,1|C<3>,1|C<4>,2|H<1>}	106.4190	0.000	1	106.8504	0.203	14	106.9946	0.301	17	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<3>,1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|C<4>,2|H<1>}	106.6510	0.017	2	106.8504	0.203	14	106.9946	0.301	17	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<3>,1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|N<3>,2|H<1>}	106.8065	0.112	2	106.8504	0.203	14	106.9946	0.301	17	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<3>,1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Ga<4>,1|H<1>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|N<3>,2|H<1>}	107.3645	0.233	2	106.8504	0.203	14	106.9946	0.301	17	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<3>,1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|N<3>,2|H<1>}	106.8815	0.124	2	106.8504	0.203	14	106.9946	0.301	17	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<3>,1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|C<4>,2|H<1>}	106.1850	0.000	1	106.8504	0.203	14	106.9946	0.301	17	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<3>,1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Se<2>,1|H<1>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|N<3>,2|H<1>}	106.9280	0.399	2	106.8504	0.203	14	106.9946	0.301	17	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<4>,1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|S<1>,1|S<2>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<4>,1|C<3>,1|N<3>,2|H<1>}	106.2810	0.000	1	106.8504	0.203	14	106.9946	0.301	17	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|Ge<4>,1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Se<1>,1|Se<2>,1|H<1>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<4>,1|C<3>,1|N<3>,2|H<1>}	107.7570	0.000	1	106.8504	0.203	14	106.9946	0.301	17	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H)	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]H)(H){1|N<2>,3|C<3>}	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H){1|C<4>,1|N<2>,2|C<3>}	108.2280	0.000	1	108.2280	0.000	1	106.9946	0.301	17	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[5]-3:H-1:	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]H)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]H)(H){4|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H){1|N<2>,3|C<3>}	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:B[6,6]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[6,6]N[5])(B[6,6]C[6,6]2)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H){1|B<3>,3|C<4>}	N[5](C[5]B[6,6]N[5])(B[6,6]C[6,6]2)(C[5]C[5]H){3|H<1>,7|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|B<3>}	107.1785	0.293	2	107.4633	0.286	3	107.4633	0.286	3	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:B[6,6]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[6,6]N[5])(B[6,6]C[6,6]2)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<4>}	N[5](C[5]B[6,6]N[5])(B[6,6]C[6,6]2)(C[5]C[5]H){1|I<1>,3|H<1>,7|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|B<4>}	108.0330	0.000	1	107.4633	0.286	3	107.4633	0.286	3	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(C[6]C[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(C[6]C[6]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	106.9960	0.000	1	106.9960	0.000	1	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(C[6]N[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]H)(C[6]N[6]2){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.5860	0.000	2	106.5860	0.000	2	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(C[6]N[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]O)(C[6]N[6]2){1|Cu<6>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|O<2>}	106.7500	0.000	1	106.7500	0.000	1	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Er)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Er<10>,1|C<3>,2|C<4>}	N[5](C[5]N[5]Er)(C[5]C[5]H)(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Er<10>,1|C<3>}	106.9940	0.622	4	106.9940	0.387	4	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<8>,1|C<4>,2|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(C[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	106.8740	0.000	1	106.8740	0.000	1	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	105.8710	0.000	1	105.9370	0.009	2	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|C<2>,1|C<3>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(C[6]C[6]2){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	106.0030	0.000	1	105.9370	0.009	2	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(C[6]N[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(C[6]N[6]2){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	105.8600	0.000	1	105.8600	0.000	1	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(C[6]N[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(C[6]N[6]2){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	105.8339	0.482	8	105.8339	0.232	8	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	106.3120	0.000	1	105.5235	0.408	4	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(C[6]C[6]2){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	104.8470	0.000	1	105.5235	0.408	4	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<7>,1|C<4>,2|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<3>}	105.2050	0.000	1	105.5235	0.408	4	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,2|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(C[6]C[6]2){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	105.7300	0.000	1	105.5235	0.408	4	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(C[6]N[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(C[6]N[6]2){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	105.8565	1.088	2	105.8565	1.184	2	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(C[6]C[6]2){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	105.6290	0.000	1	105.6290	0.000	1	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(C[6]N[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(C[6]N[6]2){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	105.5325	0.741	4	105.5325	0.549	4	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Yb)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Yb<10>,1|C<3>,2|C<4>}	N[5](C[5]N[5]Yb)(C[5]C[5]H)(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Yb<10>,1|C<3>}	106.5328	0.571	8	106.5328	0.326	8	106.1539	0.517	39	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(C[6]N[6]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|H<1>,2|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]H)(C[6]N[6]2){1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	106.9120	0.000	2	106.9120	0.000	2	106.1437	0.470	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(C[6]C[6]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<4>,1|P<4>,2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]P)(C[6]C[6]2){1|Ru<6>,1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<4>,3|C<3>}	106.6990	0.000	1	106.6990	0.000	1	106.1437	0.470	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(C[6]C[6]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,3|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(C[6]C[6]2){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,3|C<3>}	105.9130	0.000	1	105.9130	0.000	1	106.1437	0.470	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(C[6]N[6]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|C<3>,1|N<2>,1|N<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(C[6]N[6]2){1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,3|C<3>}	105.6230	0.000	1	105.6230	0.000	1	106.1437	0.470	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(C[6]N[6]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|N<2>,1|N<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(C[6]N[6]2){1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	105.8103	0.258	7	105.8103	0.066	7	106.1437	0.470	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pt<3>,3|C<3>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|H<1>,2|C<2>,2|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pt<3>,3|C<3>}	107.3685	0.390	2	107.3685	0.152	2	106.1437	0.470	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(C[6]N[6]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Re<6>,1|C<3>,1|N<2>,1|N<3>}	N[5](C[5]N[5]Re)(C[5]C[5]H)(C[6]N[6]2){1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,3|C<3>}	105.4163	0.482	3	105.4163	0.232	3	106.1437	0.470	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(C[6]C[6]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<4>,3|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(C[6]C[6]2){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<4>,3|C<3>}	106.5850	0.000	1	106.5850	0.000	1	106.1437	0.470	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(C[6]C[6]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(C[6]C[6]2){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	106.4280	0.000	1	106.4280	0.000	1	106.1437	0.470	19	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]N[5])(C[5]N[5]H)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(N[5]C[5]2)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|N<3>}	104.4950	0.000	1	104.4950	0.000	1	104.4950	0.000	1	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|C<4>,2|C<3>}	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<3>}	106.1810	0.000	1	106.1810	0.000	1	106.1810	0.000	1	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[3,3,5,5,6x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<5>,3|C<3>}	N[5](C[5]B[3,3,5,5,6x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,3|B<6>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<5>,3|C<3>}	107.0415	0.047	2	107.0415	0.002	2	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<5>,3|C<3>}	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<5>,2|B<6>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<5>,3|C<3>}	107.2995	0.032	2	107.2995	0.001	2	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Br<1>,1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	107.2815	0.436	2	107.0425	0.171	8	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	106.9628	0.414	6	107.0425	0.171	8	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	107.2835	0.290	4	107.1330	0.066	8	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,3|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	106.9825	0.096	4	107.1330	0.066	8	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	106.7880	0.358	2	106.9986	0.046	12	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Br<1>,1|H<1>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	107.0795	0.098	2	106.9986	0.046	12	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	107.0773	0.160	6	106.9986	0.046	12	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	106.8920	0.287	2	106.9986	0.046	12	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	107.1090	0.434	2	107.1090	0.188	2	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<3>,3|C<3>}	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<3>,3|C<3>}	107.1020	0.203	4	107.1232	0.033	6	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	107.1655	0.186	2	107.1232	0.033	6	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	107.3498	0.108	8	107.3498	0.012	8	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,3|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ir<6>,2|C<3>,2|N<3>,3|H<1>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){2|C<3>}	106.9990	0.024	2	106.9990	0.001	2	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|O<2>,1|P<2>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	107.6840	0.221	2	107.6941	0.079	8	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	107.6975	0.317	6	107.6941	0.079	8	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,3|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ir<6>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){2|C<3>}	106.5990	0.000	1	106.5990	0.000	1	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Re<6>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.1320	0.000	1	107.1320	0.000	1	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	106.9745	0.108	2	107.9511	0.510	14	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	107.3140	0.205	4	107.9511	0.510	14	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	108.5139	0.245	8	107.9511	0.510	14	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ir<6>,1|H<1>,2|C<4>,4|C<3>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){2|C<3>}	106.3735	0.316	2	106.3735	0.100	2	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pd<4>,1|H<1>,2|C<4>,4|C<3>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){2|C<3>}	106.7240	0.141	2	106.7240	0.020	2	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pt<4>,1|H<1>,2|C<4>,4|C<3>}	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H){2|C<3>}	106.6320	0.148	2	106.6320	0.022	2	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	107.1808	0.120	8	107.1808	0.014	8	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]N[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|N<3>,3|C<3>}	N[5](C[5]N[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ge<2>,1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|N<3>,3|C<3>}	107.3350	0.583	2	107.3350	0.339	2	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<3>,3|C<3>}	N[5](C[5]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,1|H<1>,1|P<3>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<3>,3|C<3>}	107.0293	0.609	4	107.0293	0.371	4	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<3>,3|C<3>}	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|P<3>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<3>,3|C<3>}	107.0410	0.020	2	107.0140	0.189	4	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<3>,3|C<3>}	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<3>,3|C<3>}	106.9870	0.751	2	107.0140	0.189	4	107.2466	0.267	98	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]C[5a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5a]C[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.9370	0.000	1	106.9370	0.000	1	106.5438	0.237	11	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.7180	0.000	1	106.7180	0.000	1	106.5438	0.237	11	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]C[5a]S[5a])(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<3>,1|C<4>,1|S<2>}	N[5](C[5a]C[5a]S[5a])(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	106.1160	0.000	1	106.1160	0.000	1	106.5438	0.237	11	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.4077	0.432	3	106.4077	0.187	3	106.5438	0.237	11	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|S<1>}	N[5](C[5a]N[5a]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	106.8987	0.356	3	106.8987	0.127	3	106.5438	0.237	11	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|Se<1>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5a]N[5a]2)(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	106.1460	0.793	2	106.1460	0.629	2	106.5438	0.237	11	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	N[5](C[5a]N[5a]O[5a])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|N<2>,1|O<2>}	N[5](C[5a]N[5a]O[5a])(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	106.1260	0.000	1	106.1260	0.000	1	106.1260	0.000	1	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6,6a]N[6])(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6,6a]N[6])(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	106.1660	0.000	1	106.1660	0.000	1	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]H){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.9850	0.000	1	106.9850	0.000	1	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,4|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	105.0800	0.000	1	105.0800	0.000	1	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]W)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|N<3>,1|W<6>}	N[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]W){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|W<6>}	105.7100	0.000	1	105.7100	0.000	1	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Cu<3>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Cu)(C[5]C[5]H){1|Cu<3>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<3>}	106.6110	0.185	2	106.6110	0.034	2	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	107.0290	0.000	1	105.8537	0.203	16	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	105.7753	0.336	15	105.8537	0.203	16	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	106.7010	1.684	2	106.1443	1.022	6	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	105.8660	0.669	4	106.1443	1.022	6	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ir<6>,1|C<3>}	106.0020	0.240	2	106.0020	0.058	2	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Mn<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Mn)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<3>}	105.5693	0.240	3	105.5693	0.058	3	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Os)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Os<9>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Os)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<9>,1|C<3>}	105.4120	0.000	1	105.4120	0.000	1	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	106.1640	0.000	1	105.9022	0.363	18	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	105.7065	0.582	13	105.9022	0.363	18	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	106.6830	0.252	2	105.9022	0.363	18	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	106.2330	0.000	1	105.9022	0.363	18	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	106.2920	0.000	1	105.9022	0.363	18	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Re)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	105.7325	0.186	4	105.7325	0.035	4	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<5>,1|C<3>}	106.8445	0.579	2	106.5149	0.401	7	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	106.8160	0.058	3	106.5149	0.401	7	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<8>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	105.7335	0.593	2	106.5149	0.401	7	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	105.3130	0.000	1	105.9735	0.642	53	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	106.4230	0.000	1	105.9735	0.642	53	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	105.9883	0.833	48	105.9735	0.642	53	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	105.8067	0.073	3	105.9735	0.642	53	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]N[5,6]C[6])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]N[5,6]C[6])(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	106.1180	0.000	1	106.1180	0.000	1	105.9769	0.490	117	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]V)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|N<3>,1|V<6>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]V){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|V<6>,3|C<3>}	105.8503	0.226	4	105.8503	0.051	4	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ba)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ba<7>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ba)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ba<7>,3|C<3>}	106.2170	0.297	2	106.2170	0.088	2	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ca)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ca<6>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ca)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ca<6>,3|C<3>}	106.3350	0.395	6	106.3350	0.156	6	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Cr)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Cr<4>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Cr)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cr<4>,3|C<3>}	106.8120	0.000	2	106.8120	0.000	2	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Cu<2>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Cu)(C[5]C[5]H){1|Cu<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<2>,3|C<3>}	106.7050	0.034	2	106.4618	0.067	5	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Cu<3>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Cu)(C[5]C[5]H){1|Cu<3>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<3>,3|C<3>}	106.2997	0.185	3	106.4618	0.067	5	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<5>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Fe)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<5>,3|C<3>}	105.9149	0.347	8	105.8053	0.214	9	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<6>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Fe)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<6>,3|C<3>}	104.9290	0.000	1	105.8053	0.214	9	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|Ir<6>,1|C<3>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ir)(C[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|Ir<6>,1|C<3>}	105.4870	0.000	1	105.4870	0.000	1	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<4>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<4>,1|N<2>,2|C<3>}	107.1930	0.000	1	106.7503	0.168	3	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<7>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<7>,1|N<2>,2|C<3>}	106.5290	0.204	2	106.7503	0.168	3	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Li)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Li<4>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Li)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Li<4>,3|C<3>}	106.4975	0.029	2	106.4975	0.001	2	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ni<6>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ni)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<6>,3|C<3>}	105.7390	0.000	1	105.7390	0.000	1	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	106.6390	0.000	1	106.1734	0.262	11	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Pd)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	106.1268	0.514	10	106.1734	0.262	11	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Re)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Re<6>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Re)(C[5]C[5]H){1|N<2>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,3|C<3>}	106.0455	0.430	4	105.9778	0.121	8	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Re)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Re<6>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Re)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,3|C<3>}	105.9100	0.293	4	105.9778	0.121	8	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<9>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ru)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	105.6100	0.000	1	105.6100	0.000	1	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Sr)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Sr<7>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Sr)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Sr<7>,3|C<3>}	106.0945	0.820	2	106.0945	0.672	2	106.1408	0.231	57	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Co)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Co)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<5>,1|C<3>}	106.9204	0.330	5	106.9204	0.109	5	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Cu<6>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<6>,3|C<3>}	106.9928	0.074	4	106.9928	0.005	4	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<4>,1|C<3>}	107.3030	0.000	1	106.7770	0.232	3	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<5>,1|C<3>}	106.5140	0.223	2	106.7770	0.232	3	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|C<3>,2|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(C[5]N[5]N)(H){1|Cu<5>,1|C<3>}	107.4010	0.000	1	107.4010	0.000	1	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|C<3>}	107.0410	0.499	2	107.0410	0.249	2	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|N<2>,2|C<3>}	108.8790	1.768	2	107.9828	1.369	6	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Fe<6>,3|C<3>}	107.5348	0.661	4	107.9828	1.369	6	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<3>}	107.1903	0.232	10	107.1903	0.054	10	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|C<3>}	106.9149	0.602	220	106.9149	0.363	220	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Ir)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,3|C<3>}	106.2000	0.000	1	106.2000	0.000	1	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<3>}	106.9470	0.000	1	106.9470	0.000	1	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Mn<8>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Mn)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Mn<8>,1|C<3>}	106.6710	0.000	1	106.6710	0.000	1	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Ni)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|C<3>}	107.6275	0.898	4	107.6275	0.806	4	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Pd)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<3>}	106.5210	0.509	2	106.5210	0.259	2	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Re)(C[5]C[5]H){1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<3>}	107.1655	0.855	2	107.1655	0.731	2	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ru<9>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|C<3>}	106.8760	0.000	1	107.2487	0.113	3	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ru<9>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|C<3>}	107.4350	0.130	2	107.2487	0.113	3	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Zn)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Zn<6>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Zn)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Zn<6>,3|C<3>}	107.1313	0.203	3	107.1313	0.041	3	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Zn)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Zn)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Zn<5>,1|C<3>}	106.9535	0.514	2	107.0091	0.109	8	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Zn)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Zn)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Zn<6>,1|C<3>}	107.0277	0.313	6	107.0091	0.109	8	106.9651	0.375	276	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.8035	0.508	2	106.9417	0.187	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	107.2180	0.000	1	106.9417	0.187	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	105.1500	1.343	3	105.1500	1.803	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	106.8530	0.000	1	106.8530	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	107.3760	0.000	1	107.3760	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.6275	0.461	8	106.6275	0.212	8	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6,6a]C[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6,6a]C[6a])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	105.8515	0.377	2	105.8515	0.142	2	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	106.8405	0.330	2	106.7367	0.087	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	106.5290	0.000	1	106.7367	0.087	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	106.7115	0.310	2	106.7115	0.096	2	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Se)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<1>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	107.0610	0.000	1	107.0610	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<3>}	107.0064	0.182	5	107.0064	0.033	5	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<3>}	106.9912	0.501	4	107.1925	0.168	10	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.3267	0.314	6	107.1925	0.168	10	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){2|C<3>,4|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	106.8060	0.102	4	106.9478	0.108	5	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){2|C<3>,4|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){2|C<3>}	107.5150	0.000	1	106.9478	0.108	5	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>}	106.9060	0.000	1	106.9060	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<3>,1|H<1>}	106.7545	0.380	4	106.7630	0.109	5	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<3>,1|H<1>}	106.7970	0.000	1	106.7630	0.109	5	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	107.1895	0.538	2	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.1250	0.000	1	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.4355	0.118	2	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	105.9955	0.292	2	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.6090	0.610	5	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	107.0085	0.114	2	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.6920	0.000	1	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.9051	0.679	53	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	108.1010	0.000	1	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	107.0950	0.000	1	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	107.0080	0.000	1	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	107.0135	0.550	36	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	107.6393	0.375	4	106.9400	0.401	111	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	106.3270	0.000	1	107.0083	1.234	35	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,4|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	107.0365	1.137	33	107.0083	1.234	35	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	106.7570	0.000	1	107.0083	1.234	35	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]N)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]N)(H){1|C<3>,1|H<1>}	106.9310	0.493	4	106.9310	0.243	4	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|I<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|I<1>}	106.9370	0.233	2	106.9370	0.054	2	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|N<3>}	107.9587	0.448	3	107.9587	0.201	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){2|C<3>,4|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|N<3>}	107.4070	0.000	1	107.4070	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|P<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<2>}	108.0890	0.000	1	107.1674	0.740	10	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|P<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<3>}	106.7725	0.073	2	107.1674	0.740	10	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|P<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<3>}	105.8610	0.000	1	107.1674	0.740	10	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|P<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<4>}	107.0528	0.259	4	107.1674	0.740	10	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|P<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<4>}	107.9840	1.482	2	107.1674	0.740	10	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<3>,1|S<1>}	106.8178	0.374	6	107.0207	0.586	50	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<3>,1|S<2>}	106.8890	0.448	25	107.0207	0.586	50	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<3>,1|S<2>}	107.2581	1.091	19	107.0207	0.586	50	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<2>}	107.3590	0.098	2	107.3590	0.010	2	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|S<1>}	107.2450	0.000	2	106.9600	0.191	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){2|C<3>,4|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|S<1>}	107.2390	0.000	2	106.9600	0.191	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){2|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|S<1>}	106.3960	0.000	2	106.9600	0.191	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Al<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<3>}	106.8497	0.456	3	106.8497	0.208	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Al<5>,1|P<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Al<5>,1|C<3>}	107.0765	0.162	2	107.0765	0.026	2	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<3>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<3>,1|C<3>}	107.0440	0.192	2	106.9109	0.223	25	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<3>}	106.8956	0.259	18	106.9109	0.223	25	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<3>}	105.8610	0.535	2	106.9109	0.223	25	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<3>}	107.6143	0.285	3	106.9109	0.223	25	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cr<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<4>,1|C<3>}	106.7040	0.000	1	107.4108	1.480	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cr<7>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<7>,1|C<3>}	107.3900	1.482	2	107.4108	1.480	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cr<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<3>}	107.6603	1.503	3	107.4108	1.480	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cr<4>,1|P<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Cr<4>,1|C<3>}	106.6642	0.384	5	106.7923	0.217	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cr<5>,1|P<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Cr<5>,1|C<3>}	107.4330	0.000	1	106.7923	0.217	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<2>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<3>}	106.2690	0.000	1	106.2857	0.335	7	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<2>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<3>}	106.3905	0.228	2	106.2857	0.335	7	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<3>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<3>}	105.7390	0.843	2	106.2857	0.335	7	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<3>}	106.7360	0.468	2	106.2857	0.335	7	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<4>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<4>,1|C<3>}	106.7881	0.334	15	106.8052	0.115	21	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<6>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<6>,1|C<3>}	106.6917	0.498	3	106.8052	0.115	21	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<8>,1|C<3>}	107.0043	0.196	3	106.8052	0.115	21	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	106.6848	0.622	17	106.8526	0.294	48	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	106.6490	0.540	2	106.8526	0.294	48	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	106.8678	0.371	8	106.8526	0.294	48	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<7>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<3>}	106.7365	0.448	8	106.8526	0.294	48	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	107.1680	0.000	1	106.8526	0.294	48	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	107.1111	0.581	9	106.8526	0.294	48	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	106.9770	0.000	1	106.8526	0.294	48	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<9>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<9>,1|C<3>}	107.5020	0.195	2	106.8526	0.294	48	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ho)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ho<14>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ho)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ho<14>,1|C<3>}	106.2040	0.000	1	106.2040	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<4>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ir<4>,1|C<3>}	106.1470	0.000	1	106.7530	0.493	4	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<5>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ir<5>,1|C<3>}	107.7670	0.000	1	106.7530	0.493	4	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ir<6>,1|C<3>}	106.5490	0.003	2	106.7530	0.493	4	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<3>}	106.4092	1.330	5	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<5>,1|C<3>}	106.7610	0.400	2	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	106.0690	0.089	2	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	106.2480	0.000	1	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	106.6660	0.000	1	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	105.9088	1.539	9	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	106.9455	0.466	2	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	105.9290	0.000	1	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	106.4093	0.632	7	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	107.2127	0.549	6	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	106.7530	0.000	1	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	106.4440	0.000	1	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	106.8730	0.000	1	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	104.8770	0.000	1	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	106.0697	0.281	6	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	107.4490	0.064	2	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	107.2590	0.868	2	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	106.5590	0.000	1	106.4529	0.917	51	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Li<3>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Li<3>,1|C<3>}	106.2070	0.000	1	106.2070	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Li<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Li<4>,1|C<3>}	106.7195	0.231	2	106.7195	0.053	2	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Lu)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Lu<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Lu)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Lu<6>,1|C<3>}	106.4715	1.252	2	106.4715	1.568	2	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<4>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Mn<4>,1|C<3>}	106.6739	0.418	12	106.6409	0.142	15	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<6>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Mn<6>,1|C<3>}	106.5087	0.040	3	106.6409	0.142	15	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<4>,1|C<3>}	106.8212	0.473	5	106.9552	0.147	20	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<5>,1|C<3>}	106.3825	0.351	2	106.9552	0.147	20	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<5>,1|C<3>}	106.9560	0.000	1	106.9552	0.147	20	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<3>}	107.1112	0.278	9	106.9552	0.147	20	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<8>,1|C<3>}	107.1350	0.366	2	106.9552	0.147	20	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<9>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<9>,1|C<3>}	107.0060	0.000	1	106.9552	0.147	20	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mo<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<3>}	107.0560	0.000	1	107.0560	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	106.8305	0.421	4	107.0023	0.303	49	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	105.9605	0.175	2	107.0023	0.303	49	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	107.2689	0.500	28	107.0023	0.303	49	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	106.7090	0.349	2	107.0023	0.303	49	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	107.2165	0.127	2	107.0023	0.303	49	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<3>}	106.3770	0.000	1	107.0023	0.303	49	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<7>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<3>}	106.6112	0.258	10	107.0023	0.303	49	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]N)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]N)(H){1|Ni<4>,1|C<3>}	106.9060	0.443	2	106.9060	0.196	2	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<6>,1|C<3>}	107.0673	1.356	4	107.0658	1.339	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<7>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<7>,1|C<3>}	106.2950	0.000	1	107.0658	1.339	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<9>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<9>,1|C<3>}	107.8310	0.000	1	107.0658	1.339	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Pd<4>,1|C<4>,3|C<3>}	106.4330	0.180	3	106.4330	0.032	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	106.7636	0.513	16	107.0742	0.666	130	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	107.1143	0.364	12	107.0742	0.666	130	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	106.5480	0.134	2	107.0742	0.666	130	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	105.9400	0.000	1	107.0742	0.666	130	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	107.0270	0.697	15	107.0742	0.666	130	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	107.1702	0.973	65	107.0742	0.666	130	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	107.7138	0.374	6	107.0742	0.666	130	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	106.0200	0.000	1	107.0742	0.666	130	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	107.0975	0.080	2	107.0742	0.666	130	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	106.9783	0.708	9	107.0742	0.666	130	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	106.2530	0.000	1	107.0742	0.666	130	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	106.8610	0.436	6	106.8128	0.692	13	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	107.3420	0.881	2	106.8128	0.692	13	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	107.3505	1.313	2	106.8128	0.692	13	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<5>,1|C<3>}	105.8175	1.240	2	106.8128	0.692	13	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<3>}	106.3800	0.000	1	106.8128	0.692	13	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	106.8417	0.338	6	106.8417	0.114	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Re<6>,1|C<3>}	106.8220	0.000	1	106.8220	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Rh<6>,1|H<1>,3|C<3>}	106.8780	0.000	1	106.8780	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<4>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Rh<4>,1|C<3>}	106.7100	0.000	1	106.7970	0.015	2	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Rh<6>,1|C<3>}	106.8840	0.000	1	106.7970	0.015	2	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	106.9300	0.000	1	106.7019	0.340	31	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	106.6050	0.000	1	106.7019	0.340	31	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	106.1260	0.000	1	106.7019	0.340	31	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	106.3380	0.211	2	106.7019	0.340	31	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	106.6770	0.000	1	106.7019	0.340	31	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	107.0350	0.563	2	106.7019	0.340	31	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	106.8816	0.323	14	106.7019	0.340	31	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	106.5790	0.000	1	106.7019	0.340	31	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	105.5390	0.672	2	106.7019	0.340	31	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	106.6430	0.912	2	106.7019	0.340	31	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	105.5040	0.000	1	106.7019	0.340	31	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	107.2957	0.569	3	106.7019	0.340	31	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	106.8786	0.378	9	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	107.0134	0.950	5	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	107.1957	1.353	3	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	107.1499	0.456	24	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<7>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<3>}	107.6760	0.000	1	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	106.4375	1.159	2	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	106.4720	0.358	2	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	106.6523	0.144	3	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	106.0167	0.456	17	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	106.7770	0.000	1	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	107.0516	0.487	5	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	106.3770	0.000	1	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	106.7010	0.000	1	106.7704	0.478	74	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,1|B<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Se<2>,1|C<3>}	106.6560	0.000	1	106.9502	0.425	12	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Se<2>,1|C<3>}	106.9770	0.677	11	106.9502	0.425	12	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<1>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	107.1150	0.000	1	107.2839	0.233	7	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<3>}	107.1955	0.467	2	107.2839	0.233	7	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<3>}	107.1557	0.525	3	107.2839	0.233	7	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<3>}	108.0140	0.000	1	107.2839	0.233	7	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<1>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Se<1>,1|C<3>}	106.9720	0.000	1	106.9720	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ta)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ta<7>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ta)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ta<7>,1|C<3>}	106.2647	0.159	3	106.2647	0.025	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ti)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ti<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ti)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ti<6>,1|C<3>}	105.9480	0.062	2	106.4263	0.688	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ti)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ti<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ti)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ti<6>,1|C<3>}	107.3830	0.000	1	106.4263	0.688	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<4>,1|B<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Zn<4>,1|C<3>}	106.4895	0.046	2	106.4895	0.002	2	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<3>}	107.3070	0.000	1	107.3070	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.6420	1.261	79	106.6433	1.551	81	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.6920	0.361	2	106.6433	1.551	81	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	107.4026	0.730	7	107.4026	0.532	7	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	107.5465	0.090	2	107.2887	0.203	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<2>}	106.7730	0.000	1	107.2887	0.203	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	106.7100	0.000	1	106.7100	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	106.6300	0.000	1	106.6300	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	106.7540	0.851	9	106.7560	0.589	11	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	106.5400	0.000	1	106.7560	0.589	11	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<7>,1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<7>,1|C<3>}	106.9900	0.000	1	106.7560	0.589	11	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pt)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	107.2510	0.300	2	107.2510	0.090	2	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	106.1530	0.453	2	106.0770	0.120	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<8>,1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	105.9250	0.000	1	106.0770	0.120	3	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	106.6908	0.409	6	106.6908	0.167	6	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Se)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<3>}	106.8810	0.000	1	106.8810	0.000	1	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]N[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|N<2>}	N[5](C[6a]N[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	106.4543	0.204	4	106.4543	0.042	4	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]N[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|N<2>}	N[5](C[6a]N[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	106.7040	0.514	4	106.7040	0.264	4	106.8654	0.606	960	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	107.4190	0.000	1	107.4190	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a,6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a,6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ru<9>,1|H<1>,4|C<3>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.4410	0.830	2	106.4410	0.689	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<3>,3|C<3>}	107.3082	0.476	30	107.1103	0.148	112	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<3>}	107.0346	0.318	80	107.1103	0.148	112	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<5>,3|C<3>}	107.1685	0.496	2	107.1103	0.148	112	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|Fe<8>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){2|C<3>}	106.5500	0.000	1	106.5500	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|Ru<8>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){2|C<3>}	106.6640	0.000	1	106.6640	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<2>,3|C<3>}	107.6805	0.422	2	107.6219	0.290	142	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	107.2526	0.441	34	107.6219	0.290	142	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	107.7392	0.518	106	107.6219	0.290	142	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|C<3>,1|H<1>,3|C<4>}	106.7500	0.526	2	106.7500	0.277	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[4]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5]C[4]C[5])(C[5]N[5]H)(H){1|C<3>,2|C<4>,2|H<1>}	107.0590	0.000	1	107.0590	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|H<1>,2|N<2>}	107.1010	0.000	2	107.1010	0.000	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cd<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cd<6>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	105.9007	0.261	3	105.9007	0.068	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Co<6>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.2980	0.000	1	106.2980	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<2>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<2>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.4330	0.103	2	106.5553	0.016	7	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<3>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<3>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.6855	0.115	2	106.5553	0.016	7	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.5870	0.000	1	106.5553	0.016	7	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<5>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<5>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.5315	0.093	2	106.5553	0.016	7	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Mg)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mg<5>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Mg<5>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Mg)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.9210	0.000	1	106.9210	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Mn<6>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.3570	0.234	3	106.3570	0.055	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ni<6>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.4632	0.471	5	106.4632	0.222	5	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Os)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<7>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Os<7>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5]Os)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.4660	0.000	1	106.4660	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	105.9587	0.417	7	106.1861	0.326	10	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Pd<4>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.7167	0.584	3	106.1861	0.326	10	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Re<6>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	105.9770	0.369	8	105.9770	0.136	8	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<8>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Rh<8>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.9407	0.712	3	107.9407	0.507	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ru<9>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	107.1283	0.699	3	107.1283	0.488	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Zn<4>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.3627	0.063	3	106.3627	0.004	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	107.1705	0.415	2	107.1409	0.230	105	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|C<3>}	107.0273	0.405	7	107.1409	0.230	105	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	107.1461	0.478	80	107.1409	0.230	105	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	106.6317	0.145	3	107.1409	0.230	105	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	107.2829	0.543	13	107.1409	0.230	105	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|I<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|I<1>,3|C<3>}	106.7010	0.038	2	106.7010	0.001	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|N<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|N<2>,3|C<3>}	107.7638	0.493	130	107.7759	0.223	162	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|N<3>,3|C<3>}	107.8249	0.380	32	107.7759	0.223	162	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<4>,1|P<4>,2|C<3>}	107.5310	0.000	1	107.5310	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[5]Os)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<5>,1|P<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|Os<5>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]C[5]Os)(C[5]N[5]H)(H){1|C<3>,1|P<4>}	107.0390	0.000	1	107.0390	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<3>,1|P<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|Pd<3>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<3>,1|P<4>}	107.5580	0.000	1	107.5580	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<2>,3|C<3>}	107.4309	0.451	60	107.3770	0.199	91	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<3>,3|C<3>}	107.2919	0.485	15	107.3770	0.199	91	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|P<4>,3|C<3>}	107.2550	0.376	16	107.3770	0.199	91	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<4>,1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|Co<4>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<3>,1|S<2>}	107.1990	0.092	2	107.1990	0.008	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|S<1>,3|C<3>}	107.1779	0.412	10	107.3273	0.151	34	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|S<1>,3|C<3>}	107.4970	0.007	2	107.3273	0.151	34	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|S<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|S<2>,3|C<3>}	107.3798	0.384	22	107.3273	0.151	34	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]U)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|U<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]U){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|U<6>,3|C<3>}	106.9975	0.506	2	106.9975	0.256	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]V)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|V<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]V){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|N<3>,1|V<6>,2|C<3>}	107.4507	0.360	4	107.4507	0.130	4	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]V)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|V<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]V){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|V<5>,3|C<3>}	106.7823	0.567	6	106.7823	0.322	6	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|W<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|W<5>,3|C<3>}	107.0875	0.286	2	107.0433	0.302	27	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|W<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|W<6>,3|C<3>}	106.9118	0.404	13	107.0433	0.302	27	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|W<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|W<7>,3|C<3>}	107.3300	0.421	4	107.0433	0.302	27	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|W<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|W<8>,3|C<3>}	106.9810	0.918	4	107.0433	0.302	27	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|W<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|W<9>,3|C<3>}	107.2240	0.826	4	107.0433	0.302	27	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Al<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Al<3>,3|C<3>}	106.6532	0.173	6	106.7778	0.116	18	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Al<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Al<4>,3|C<3>}	106.8402	0.391	12	106.7778	0.116	18	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|As<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|As<2>,3|C<3>}	107.2035	0.462	16	107.2035	0.213	16	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ba)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ba<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ba)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ba<7>,1|N<3>,2|C<3>}	107.0705	0.487	2	107.0705	0.237	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Be<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Be<3>,3|C<3>}	106.7134	0.289	11	106.7481	0.080	15	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Be<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Be<5>,3|C<3>}	106.7550	0.397	2	106.7481	0.080	15	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Be<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Be<7>,3|C<3>}	106.9320	0.198	2	106.7481	0.080	15	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Br)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Br<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Br)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Br<1>,3|C<3>}	107.3435	0.223	2	107.3435	0.050	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ca)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ca<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ca)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ca<6>,1|N<3>,2|C<3>}	106.7580	0.442	6	106.7580	0.195	6	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ca)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ca<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ca)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ca<9>,3|C<3>}	106.6020	0.000	1	106.6020	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<2>,3|C<3>}	106.5840	0.141	3	106.7830	0.152	68	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<3>,3|C<3>}	106.8636	0.405	18	106.7830	0.152	68	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<4>,3|C<3>}	106.6935	0.343	27	106.7830	0.152	68	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<5>,3|C<3>}	106.7354	0.572	10	106.7830	0.152	68	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<6>,3|C<3>}	106.9100	0.115	2	106.7830	0.152	68	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<7>,3|C<3>}	106.9442	0.303	4	106.7830	0.152	68	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<8>,3|C<3>}	107.0680	0.205	4	106.7830	0.152	68	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cr<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Cr<4>,1|N<3>,2|C<3>}	107.1000	0.000	2	107.1000	0.000	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Cu<2>,1|N<3>,2|C<3>}	107.3655	0.060	2	107.4176	0.115	5	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Cu<3>,1|N<3>,2|C<3>}	107.4523	0.472	3	107.4176	0.115	5	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<1>,3|C<3>}	107.8105	1.327	2	106.6925	0.227	130	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<2>,3|C<3>}	106.6739	0.527	69	106.6925	0.227	130	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<3>,3|C<3>}	106.6545	0.322	39	106.6925	0.227	130	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<4>,3|C<3>}	106.7887	0.260	12	106.6925	0.227	130	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<5>,3|C<3>}	106.6146	0.428	8	106.6925	0.227	130	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<5>,1|N<3>,2|C<3>}	108.0258	0.323	8	107.8488	0.474	13	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<6>,1|N<3>,2|C<3>}	109.3800	0.000	1	107.8488	0.474	13	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<7>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|Fe<7>,1|C<3>,2|C<4>}	106.9923	0.106	3	107.8488	0.474	13	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<8>,1|C<3>,1|H<1>,2|C<4>}	107.4710	0.000	1	107.8488	0.474	13	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<3>,3|C<3>}	106.8619	0.927	16	106.8615	0.239	131	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<4>,3|C<3>}	106.7878	0.423	48	106.8615	0.239	131	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<5>,3|C<3>}	106.8327	0.387	32	106.8615	0.239	131	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<6>,3|C<3>}	107.1078	0.438	11	106.8615	0.239	131	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<7>,3|C<3>}	106.9068	0.370	12	106.8615	0.239	131	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,3|C<3>}	106.9621	0.233	12	106.8615	0.239	131	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ga<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ga<3>,3|C<3>}	106.7235	0.018	2	106.8218	0.046	21	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ga<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ga<4>,3|C<3>}	106.8321	0.223	19	106.8218	0.046	21	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ge<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ge<2>,3|C<3>}	106.9998	0.245	6	106.9627	0.190	24	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ge<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ge<3>,3|C<3>}	106.9492	0.497	6	106.9627	0.190	24	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ge<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ge<4>,3|C<3>}	106.9509	0.508	12	106.9627	0.190	24	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|In<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|In<3>,3|C<3>}	106.6655	0.093	2	106.7936	0.038	11	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|In<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|In<4>,3|C<3>}	106.8221	0.204	9	106.7936	0.038	11	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,3|C<4>}	108.6110	0.000	1	107.3020	3.427	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,3|C<4>}	105.9930	0.000	1	107.3020	3.427	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|Ir<8>,1|C<3>,2|C<4>}	107.1510	0.000	1	107.8497	0.835	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|C<3>,1|N<2>,1|N<3>}	108.8840	0.000	1	107.8497	0.835	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,3|C<3>}	107.5140	0.000	1	107.8497	0.835	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|Ir<6>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|Ir<6>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|Ir<6>,1|C<3>}	106.4360	0.006	2	106.4360	0.000	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<3>,3|C<3>}	107.0312	0.317	4	107.0373	0.250	59	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<4>,3|C<3>}	106.6145	0.597	4	107.0373	0.250	59	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<5>,3|C<3>}	106.9077	0.397	7	107.0373	0.250	59	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,3|C<3>}	107.0764	0.520	38	107.0373	0.250	59	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<7>,3|C<3>}	106.9560	0.578	2	107.0373	0.250	59	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,3|C<3>}	106.8500	0.000	1	107.0373	0.250	59	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,3|C<3>}	107.8700	0.000	1	107.0373	0.250	59	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<9>,3|C<3>}	107.3650	0.119	2	107.0373	0.250	59	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Li<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Li<4>,1|N<3>,2|C<3>}	106.5070	0.117	2	106.5070	0.014	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Li<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Li<2>,3|C<3>}	106.4975	0.344	4	106.5223	0.116	6	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Li<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Li<3>,3|C<3>}	106.5720	0.467	2	106.5223	0.116	6	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mg)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mg<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mg)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mg<3>,3|C<3>}	106.4645	0.166	2	106.4645	0.028	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<4>,3|C<3>}	106.6957	0.374	14	106.7209	0.140	15	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<6>,1|N<3>,2|C<3>}	107.0740	0.000	1	106.7209	0.140	15	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mo<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mo<5>,3|C<3>}	106.6248	0.804	8	106.6927	0.527	10	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mo<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mo<9>,3|C<3>}	106.9645	0.183	2	106.6927	0.527	10	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Nb)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Nb<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Nb)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Nb<5>,3|C<3>}	106.7230	0.643	4	106.7230	0.413	4	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ni<6>,1|N<3>,2|C<3>}	106.9240	0.000	1	106.9240	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|Ni<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|Ni<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|Ni<4>,1|C<3>}	106.3047	0.081	4	106.3047	0.007	4	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<2>,3|C<3>}	106.7369	0.402	22	106.8190	0.131	285	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<3>,3|C<3>}	106.7669	0.387	59	106.8190	0.131	285	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,3|C<3>}	106.8210	0.351	87	106.8190	0.131	285	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,3|C<3>}	107.2527	0.387	3	106.8190	0.131	285	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,3|C<3>}	106.9410	0.551	5	106.8190	0.131	285	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<5>,3|C<3>}	106.8100	0.332	30	106.8190	0.131	285	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<5>,3|C<3>}	106.8350	0.420	2	106.8190	0.131	285	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<6>,3|C<3>}	106.7832	0.380	8	106.8190	0.131	285	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<7>,3|C<3>}	106.8673	0.331	69	106.8190	0.131	285	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[5](N[5]C[5]Os)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|Os<5>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|Os<5>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]C[5]Os)(C[5]N[5]H)(H){1|Os<5>,1|C<3>}	106.3090	0.000	1	106.3090	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<10>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<10>,3|C<3>}	107.0840	0.502	2	106.7984	1.110	33	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<5>,3|C<3>}	106.2758	1.292	11	106.7984	1.110	33	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<5>,3|C<3>}	106.9995	2.855	2	106.7984	1.110	33	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<6>,3|C<3>}	106.6450	0.165	4	106.7984	1.110	33	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<7>,3|C<3>}	106.9257	0.294	6	106.7984	1.110	33	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<8>,3|C<3>}	106.7955	0.196	2	106.7984	1.110	33	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<9>,3|C<3>}	106.6040	0.000	1	106.7984	1.110	33	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<9>,3|C<3>}	107.7632	0.657	5	106.7984	1.110	33	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|F<1>,2|H<1>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|N<2>,1|N<3>}	107.5120	0.130	2	107.5510	0.214	18	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|N<2>,1|N<3>}	107.5417	0.434	3	107.5510	0.214	18	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|N<3>,2|C<3>}	107.5182	0.532	11	107.5510	0.214	18	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|N<2>,1|N<3>}	107.7845	0.541	2	107.5510	0.214	18	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|N<2>,1|O<2>}	108.2740	0.000	1	108.2740	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<2>,3|C<3>}	106.5444	0.283	17	106.9680	0.257	226	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	106.8705	0.351	4	106.9680	0.257	226	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|N<2>,2|C<3>}	107.3030	0.253	3	106.9680	0.257	226	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	107.0082	0.522	161	106.9680	0.257	226	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	107.2173	0.303	4	106.9680	0.257	226	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,2|N<2>}	107.0930	0.000	1	106.9680	0.257	226	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	107.0157	0.615	19	106.9680	0.257	226	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,3|C<3>}	106.8528	0.260	13	106.9680	0.257	226	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<7>,3|C<3>}	106.8607	0.372	4	106.9680	0.257	226	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<1>,3|C<3>}	106.5817	0.426	10	106.9504	0.249	76	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<2>,3|C<3>}	106.8649	0.456	8	106.9504	0.249	76	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<3>,3|C<3>}	107.0400	0.557	6	106.9504	0.249	76	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,3|C<3>}	107.0184	0.490	38	106.9504	0.249	76	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,3|C<3>}	107.4655	0.350	2	106.9504	0.249	76	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<5>,3|C<3>}	106.9005	0.289	8	106.9504	0.249	76	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<6>,3|C<3>}	107.1047	0.846	4	106.9504	0.249	76	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Re<6>,1|C<3>,1|N<2>,1|N<3>}	107.4555	0.446	2	107.3835	0.125	12	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Re<6>,1|N<3>,2|C<3>}	107.1470	0.000	1	107.3835	0.125	12	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Re<6>,1|C<3>,1|N<2>,1|N<3>}	107.8350	0.000	1	107.3835	0.125	12	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Re<6>,1|N<3>,2|C<3>}	107.3386	0.356	8	107.3835	0.125	12	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,3|C<3>}	106.5573	0.979	3	106.5573	0.958	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<4>,3|C<3>}	107.0590	0.000	1	107.0590	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<4>,3|C<3>}	107.0000	0.289	8	106.8805	0.385	56	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<5>,3|C<3>}	106.8142	0.463	13	106.8805	0.385	56	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|N<2>,2|C<3>}	108.7440	0.000	1	106.8805	0.385	56	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,3|C<3>}	107.0056	0.421	18	106.8805	0.385	56	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|F<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,3|C<3>}	106.6875	0.931	4	106.8805	0.385	56	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,3|C<3>}	106.4685	0.148	2	106.8805	0.385	56	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,3|C<3>}	106.6190	0.900	10	106.8805	0.385	56	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	106.1390	0.000	1	107.0987	0.783	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<9>,1|N<3>,2|C<3>}	107.8820	0.000	1	107.0987	0.783	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	107.2750	0.000	1	107.0987	0.783	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<10>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<10>,3|C<3>}	106.7930	0.847	2	106.8371	0.643	102	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<4>,3|C<3>}	106.9745	0.190	2	106.8371	0.643	102	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<5>,3|C<3>}	106.8049	0.319	29	106.8371	0.643	102	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,3|C<3>}	106.9896	1.075	24	106.8371	0.643	102	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<7>,3|C<3>}	106.9240	0.270	6	106.8371	0.643	102	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<8>,3|C<3>}	106.8330	0.321	6	106.8371	0.643	102	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|P<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<8>,3|C<3>}	103.1100	0.486	2	106.8371	0.643	102	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	107.0088	0.234	27	106.8371	0.643	102	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	105.8360	0.010	2	106.8371	0.643	102	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,3|C<3>}	107.5400	0.037	2	106.8371	0.643	102	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<4>,1|Se<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|Co<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|Se<2>,1|C<3>}	106.5930	0.000	1	106.5930	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<4>,1|Se<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|Fe<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|Se<2>,1|C<3>}	105.8705	1.087	2	105.8705	1.181	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|Se<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|Ni<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|Se<2>,1|C<3>}	106.4860	0.030	2	106.4860	0.001	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<1>,3|C<3>}	107.4439	0.322	9	107.2897	0.272	57	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,3|C<3>}	107.2495	0.558	46	107.2897	0.272	57	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<3>,3|C<3>}	107.5210	0.021	2	107.2897	0.272	57	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Si<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ni<8>,1|Si<4>,1|C<3>,2|C<4>}	107.5950	0.000	1	107.5950	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Si<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Si<3>,3|C<3>}	106.6810	0.031	2	106.8265	0.071	10	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Si<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Si<4>,3|C<3>}	106.9723	0.308	4	106.8265	0.071	10	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Si<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Si<5>,3|C<3>}	107.1230	0.000	1	106.8265	0.071	10	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Si<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Si<6>,3|C<3>}	106.6303	0.107	3	106.8265	0.071	10	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Sn)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Sn<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Sn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Sn<1>,3|C<3>}	106.9515	0.056	2	107.1354	0.549	12	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Sn)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Sn<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Sn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Sn<3>,3|C<3>}	107.1722	0.813	10	107.1354	0.549	12	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Sr)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Sr<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Sr)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Sr<7>,1|N<3>,2|C<3>}	106.8390	0.361	2	106.8390	0.130	2	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Sr)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Sr<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Sr)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Sr<9>,3|C<3>}	106.6720	0.000	1	106.6720	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ta)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ta<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ta)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ta<6>,3|C<3>}	107.5655	0.935	4	107.5655	0.873	4	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ti)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ti<5>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ti)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ti<5>,3|C<3>}	106.9977	0.458	6	106.9977	0.210	6	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<2>,3|C<3>}	106.5470	0.503	2	106.7507	0.098	23	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<3>,3|C<3>}	106.6780	0.331	5	106.7507	0.098	23	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<4>,3|C<3>}	106.7989	0.295	16	106.7507	0.098	23	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Zr)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zr<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zr)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zr<6>,3|C<3>}	107.1200	1.485	4	107.0035	1.356	6	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Zr)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zr<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zr)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zr<9>,3|C<3>}	106.7705	0.029	2	107.0035	1.356	6	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<8>,1|C<3>,1|H<1>,1|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|Co<8>,2|C<3>,2|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	106.0830	0.000	1	106.0830	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|C<3>}	107.1760	0.000	1	107.0724	0.305	9	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	106.7130	1.219	2	107.0724	0.305	9	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	107.5840	0.000	1	107.0724	0.305	9	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	107.1937	0.358	3	107.0724	0.305	9	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|C<3>}	107.1500	0.000	1	107.0724	0.305	9	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	106.7350	0.000	1	107.0724	0.305	9	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<4>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<4>,1|N<3>,2|C<3>}	107.5400	0.000	1	107.5557	0.000	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<7>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<7>,1|N<3>,2|C<3>}	107.5635	0.008	2	107.5557	0.000	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|N<2>,2|C<3>}	106.3390	0.000	1	106.3390	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Mn)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<6>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Mn)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<6>,3|C<3>}	105.8760	0.000	1	105.8760	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,1|N<2>,2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	105.4500	0.000	1	106.2373	0.483	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	106.6310	0.191	2	106.2373	0.483	3	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,3|C<3>}	105.8220	0.000	1	105.8220	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]N[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,2|N<2>}	N[5](C[6a]N[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	106.7410	0.000	1	106.7410	0.000	1	107.0449	0.369	2289	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){2|C<3>,4|H<1>}	C[5](C[5]N[5]H)2(H){1|C<3>,1|C<4>}	108.7100	0.000	1	108.7100	0.000	1	109.4353	0.395	3	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|O<1>,3|C<3>}	109.7980	0.000	2	109.7980	0.000	2	109.4353	0.395	3	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:P[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]N)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|N<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|N<2>,3|C<3>}	111.5695	0.028	2	111.5695	0.001	2	111.7440	0.092	3	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:P[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|O<2>,3|C<3>}	112.0930	0.000	1	112.0930	0.000	1	111.7440	0.092	3	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Ca)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Ca<6>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Ca)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Ca<6>,3|C<3>}	116.2660	0.218	2	116.2660	0.047	2	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Cd)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Cd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Cd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Cd<4>,3|C<3>}	116.4095	0.614	4	116.4095	0.378	4	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Cr)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Cr<11>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Cr)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Cr<11>,3|C<3>}	116.5955	0.622	2	116.5955	0.386	2	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Ir<6>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Ir<6>,3|C<3>}	117.1355	0.018	2	117.1355	0.000	2	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Mg)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Mg<4>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Mg)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Mg<4>,3|C<3>}	117.3230	0.373	2	116.8895	0.614	6	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Mg)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Mg<5>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Mg)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Mg<5>,3|C<3>}	116.6728	0.889	4	116.8895	0.614	6	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Ni<4>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Ni<4>,3|C<3>}	117.1260	0.599	8	117.1260	0.359	8	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Pd<4>,3|C<3>}	117.6060	0.561	10	117.6060	0.315	10	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Pt)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Pt<4>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Pt<4>,3|C<3>}	117.6711	0.858	14	117.5999	0.677	16	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Pt)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Pt<6>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Pt<6>,3|C<3>}	117.1020	0.136	2	117.5999	0.677	16	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Rh<6>,3|C<3>}	117.1455	0.057	2	117.1455	0.003	2	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Sn)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Sn<3>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Sn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Sn<3>,3|C<3>}	117.2713	0.561	9	117.1986	0.280	11	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Sn)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Sn<4>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Sn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Sn<4>,3|C<3>}	116.8715	0.159	2	117.1986	0.280	11	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]V)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|V<11>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]V)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|V<11>,3|C<3>}	116.7400	0.509	2	116.7400	0.259	2	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Zn)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Zn<3>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Zn<3>,3|C<3>}	116.8695	0.056	2	116.5983	0.184	4	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Zn)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Zn<4>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Zn<4>,3|C<3>}	116.3270	0.505	2	116.5983	0.184	4	117.1737	0.521	69	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Al)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Al<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Al)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Al<4>,1|C<3>}	107.9280	0.000	1	107.9280	0.000	1	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<4>,1|C<3>}	108.0785	0.484	2	107.9360	0.178	3	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Co<9>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<9>,1|C<3>}	107.6510	0.000	1	107.9360	0.178	3	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<4>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|N<3>,2|C<3>}	108.1385	0.379	4	107.7324	0.390	9	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<4>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|N<3>,2|C<3>}	107.4076	0.612	5	107.7324	0.390	9	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<4>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){1|P<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,3|C<3>}	107.8692	0.683	4	107.8692	0.467	4	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|C<3>}	107.3010	0.000	1	107.3010	0.000	1	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ir<6>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|N<3>,2|C<3>}	108.7470	0.272	2	108.7470	0.074	2	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ir<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<4>,1|C<3>}	108.5900	0.000	1	107.6439	0.867	130	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){1|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<3>}	107.9205	1.964	2	107.6439	0.867	130	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){1|F<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<3>}	107.6667	0.710	48	107.6439	0.867	130	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<3>}	107.8280	0.000	1	107.6439	0.867	130	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<3>}	107.5971	1.051	71	107.6439	0.867	130	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ir<8>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<8>,1|C<3>}	107.6752	1.193	5	107.6439	0.867	130	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ir<8>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<8>,1|C<3>}	107.8380	0.115	2	107.6439	0.867	130	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ni<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|C<3>}	107.7244	0.358	20	107.7244	0.128	20	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<3>}	107.3176	0.693	18	107.3176	0.480	18	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Re<6>,1|C<3>}	108.3350	0.000	1	107.9048	0.116	4	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Re<6>,1|C<3>}	107.7613	0.226	3	107.9048	0.116	4	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Re<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<3>}	108.1610	0.170	2	107.8388	0.148	5	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Re<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|N<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<3>}	107.6240	0.330	3	107.8388	0.148	5	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Rh<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<4>,1|C<3>}	107.6740	0.000	1	107.7200	0.286	27	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Rh<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|C<3>}	108.0156	0.356	16	107.7200	0.286	27	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Rh<8>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<8>,1|C<3>}	107.2945	0.185	8	107.7200	0.286	27	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Rh<8>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<8>,1|C<3>}	107.0805	1.282	2	107.7200	0.286	27	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|C<3>}	107.2802	0.171	5	107.2855	0.024	6	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|C<3>}	107.3120	0.000	1	107.2855	0.024	6	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ti)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Ti<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ti)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ti<6>,1|C<3>}	107.4625	0.216	2	107.4625	0.047	2	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Zn<5>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5](C[5]N[5]H)2(H){1|Zn<5>,1|C<3>}	106.9790	0.000	1	106.9790	0.000	1	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H)	N[5](C[6a]C[6a]N[6a])(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(H){1|Cu<6>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<6>,1|C<3>}	107.3970	0.000	1	107.3970	0.000	1	107.6486	0.614	234	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:P[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(P[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|Fe<4>,3|C<3>}	N[5](C[6a]C[6a]2)(P[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|Fe<4>,3|C<3>}	111.8287	0.196	4	111.7953	0.172	6	111.7153	0.378	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:P[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(P[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|Fe<5>,3|C<3>}	N[5](C[6a]C[6a]2)(P[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|Fe<5>,3|C<3>}	111.7285	0.856	2	111.7953	0.172	6	111.7153	0.378	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:P[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(P[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|Pd<3>,3|C<3>}	N[5](C[6a]C[6a]2)(P[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|Pd<3>,3|C<3>}	111.1735	0.554	2	111.1735	0.307	2	111.7153	0.378	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:P[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(P[5]N[5]Pt)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|Pt<3>,3|C<3>}	N[5](C[6a]C[6a]2)(P[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|Pt<3>,3|C<3>}	112.0170	1.195	2	112.0170	1.428	2	111.7153	0.378	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](Ga[5]Ge[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Ge<3>,3|C<3>}	N[5](Ga[5]Ge[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Ge<3>,3|C<3>}	116.7955	0.308	2	116.7955	0.095	2	116.7955	0.095	2	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(C[6]N[6]2)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(C[6]N[6]2){2|C<3>,2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<3>}	107.2010	0.000	1	107.2010	0.000	1	106.6258	0.646	9	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(C[6]N[6]2)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Rh<6>,1|H<1>,1|N<2>,1|N<3>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(C[6]N[6]2){2|C<3>,2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|C<3>}	106.3510	0.733	2	106.3510	0.537	2	106.6258	0.646	9	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(C[6]C[6]2){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|C<3>}	107.0085	0.090	2	107.0085	0.008	2	106.6258	0.646	9	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(C[6]N[6]2)	C[5](C[5]N[5]H)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(C[6]N[6]2){2|C<3>,2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|C<3>}	106.4280	1.109	4	106.4280	1.231	4	106.6258	0.646	9	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	P[3,5]-3:C[6a]-3:C[5]-3:	P[3,5]-3:C[5]-3:H-1:	C[5](N[5]P[3,5]C[6a])(C[5]P[3,5]H)(H)	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](P[3,5]P[3,5]N[3])(C[5]N[5]H)(H)	C[5](N[5]P[3,5]C[6a])(C[5]P[3,5]H)(H){1|N<3>,2|C<3>}	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5](P[3,5]P[3,5]N[3])(C[5]N[5]H)(H){2|C<3>}	120.3990	0.000	1	120.3990	0.000	1	120.3990	0.000	1	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|B<3>,3|C<3>}	N[5](P[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|B<3>,3|C<3>}	114.6660	0.655	2	114.6660	0.429	2	113.2746	0.942	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,3|C<4>,5|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	113.6025	0.063	2	112.8213	0.527	6	113.2746	0.942	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Li<7>,1|H<1>,3|C<3>,4|C<4>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	112.5485	0.856	2	112.8213	0.527	6	113.2746	0.942	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	112.3130	0.110	2	112.8213	0.527	6	113.2746	0.942	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	P[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]N[5]P[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|P<3>,3|C<3>}	N[5](P[5]N[5]P[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|P<3>,3|C<3>}	113.2430	0.553	2	113.2430	0.306	2	113.2746	0.942	10	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(O){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	105.8603	0.392	3	105.8603	0.154	3	105.8603	0.154	3	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]C[5]H)(O)	N[5](C[5]C[5]O)2(C[6]C[6]2)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)2(C[6]C[6]2){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	105.6750	1.235	2	105.6750	1.524	2	105.6750	1.524	2	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){4|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){4|C<3>}	106.3355	0.066	2	106.3355	0.004	2	106.3355	0.004	2	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5a]C[5])(C[5]C[5]H)(O)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[5a]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2{1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	105.5745	0.185	2	105.5745	0.034	2	105.5745	0.034	2	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	105.6020	0.725	2	105.6020	0.526	2	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){2|C<3>}	105.0790	0.000	1	105.0790	0.000	1	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|N<3>,1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<3>,1|S<1>}	107.3190	0.000	1	107.3190	0.000	1	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]2)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]2)(C[5]N[5]O)(H){1|Fe<10>,1|C<3>,1|O<1>,2|C<4>}	106.5810	0.000	1	106.5175	0.008	2	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]2)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>}	106.4540	0.000	1	106.5175	0.008	2	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	106.3850	0.141	2	106.3850	0.020	2	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	106.2050	0.126	2	106.1084	0.149	50	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	106.0542	0.087	4	106.1084	0.149	50	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	105.6895	0.545	2	106.1084	0.149	50	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	106.1289	0.401	42	106.1084	0.149	50	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|N<3>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	106.2760	0.000	1	106.2760	0.000	1	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]Se)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|Se<2>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|Se<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]Se)(C[5]N[5]O)(H){1|C<3>,1|O<1>}	106.4680	0.000	1	106.4680	0.000	1	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|O<1>,3|C<3>}	106.2280	0.000	1	106.2280	0.000	1	106.1278	0.193	61	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]N[6])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(O){1|N<3>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,1|O<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5]N[6])(C[5]N[5]O)(O){1|O<1>,3|C<3>}	106.2880	0.000	1	106.2880	0.000	1	106.7877	0.248	3	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]P)(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(O){1|O<1>,1|P<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]P)(C[5]N[5]O)(O){1|C<3>,1|O<1>}	107.0375	0.349	2	107.0375	0.122	2	106.7877	0.248	3	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|C<4>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<3>,1|N<2>}	105.9970	0.000	1	105.9970	0.000	1	105.9970	0.000	1	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|C<4>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]O)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	105.6270	0.400	2	105.6270	0.160	2	104.9511	0.321	9	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|P<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]P){1|O<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|P<2>,3|C<3>}	105.2760	0.567	2	105.2760	0.322	2	104.9511	0.321	9	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|Ir<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|Ir<6>,3|C<3>}	104.4240	0.202	2	104.4240	0.041	2	104.9511	0.321	9	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|Rh<6>,3|C<3>}	104.6800	0.239	2	104.6800	0.057	2	104.9511	0.321	9	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|Se<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|Se<1>,3|C<3>}	104.5460	0.000	1	104.5460	0.000	1	104.9511	0.321	9	107.1630	2.415	4517	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(N[5]C[6a]C[5])(H)	N[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5])	C[5](C[5]C[6a]O[5])(N[5]C[6a]C[5])(H){5|C<3>}	N[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5]){2|H<1>,4|C<3>}	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(H)	N[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5])	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(H){5|C<3>}	N[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5]){2|H<1>,4|C<3>}	111.8410	2.510	2	111.8410	6.301	2	111.8410	6.301	2	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6]N[5])(N[5]C[6]N[5])(H)	N[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[5](C[6]C[6]N[6])(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6]N[5])(N[5]C[6]N[5])(H){1|Ir<8>,2|C<3>,2|N<3>}	N[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){1|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]H)(N[5]N[5]){1|Ir<8>,1|C<4>,1|H<1>,3|C<3>}	104.2890	0.000	1	104.2890	0.000	1	104.2890	0.000	1	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]C[6]N[5])(H)	N[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]C[6]N[5])(H){1|Pd<4>,1|N<3>,3|C<3>}	N[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	104.9843	0.201	3	104.9843	0.040	3	105.5367	1.248	4	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]C[6]N[5])(H)	N[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]C[6]N[5])(H){1|Re<6>,1|N<3>,3|C<3>}	N[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Re<6>,2|H<1>,3|C<3>}	107.1940	0.000	1	107.1940	0.000	1	105.5367	1.248	4	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	N[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|Ru<9>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ru<9>,2|H<1>,3|C<3>}	106.2045	0.351	2	106.2045	0.124	2	106.2045	0.124	2	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(N[5]N[5]B)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]H)	C[5](C[5]N[5]H)2(CN)	C[5](C[5]C[5]C)(N[5]N[5]B)(H){1|Co<5>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]H){1|C<2>,1|H<1>}	C[5](C[5]N[5]H)2(CN){1|Co<5>,1|B<3>}	108.6420	0.235	2	108.6420	0.055	2	108.6420	0.055	2	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,3|C<3>}	106.5130	0.000	1	106.5130	0.000	1	106.5130	0.000	1	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(S[5]C[5])	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(S){1|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]N){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]S)(S[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	110.1470	0.150	3	110.1470	0.022	3	110.1470	0.022	3	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:N-2:	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NN)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H){4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|N<2>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NN){4|C<3>}	107.1535	0.049	2	107.1535	0.002	2	107.1535	0.002	2	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:N-2:	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<2>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC){1|H<1>,3|C<3>}	107.9745	0.231	2	107.9745	0.053	2	107.9745	0.053	2	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(O){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|H<1>,3|C<3>}	106.1630	0.078	2	106.1630	0.006	2	106.0950	0.017	3	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(O){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,3|C<3>}	105.9590	0.000	1	105.9590	0.000	1	106.0950	0.017	3	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[5]N)(C[5]N[5]O)(CN)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|N<2>,1|N<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N)(C[5]N[5]O)(CN){1|C<3>,1|N<2>}	107.0040	0.150	2	107.0040	0.022	2	106.9903	0.012	3	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]N)(C[5]N[5]O)(CN)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N)(C[5]N[5]O)(CN){1|C<3>,1|O<1>}	106.9630	0.000	1	106.9630	0.000	1	106.9903	0.012	3	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:Se-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]Se)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(SeC[6a])	C[5](N[5]C[6a]C[5])(C[5]C[5]Se)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|Se<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(SeC[6a]){1|C<3>,1|O<1>}	105.5890	0.000	1	105.5890	0.000	1	105.5890	0.000	1	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]S[5])(S)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]S)	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]S[5])(S){1|S<1>,1|S<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]S){2|H<1>,3|C<3>}	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5]){1|N<3>,2|C<3>,2|S<1>}	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	107.5024	4.527	28	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(H)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(H){6|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,6|C<3>}	108.6243	0.614	3	108.6243	0.377	3	108.6243	0.377	3	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[6]N[5])(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[5](C[5]C[6a]C[5])(N[5]C[6]N[5])(H){1|Ru<8>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|Ru<8>,2|H<1>,3|C<3>}	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H){1|O<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){2|H<1>,4|C<3>}	113.6430	0.000	1	113.6430	0.000	1	113.6430	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(H){1|Ni<4>,1|N<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|Ni<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]N[5]H){1|N<2>,2|H<1>,3|C<3>}	107.2007	0.065	4	107.2007	0.004	4	107.2007	0.004	4	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H){1|H<1>,1|N<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(C[5]N[5]H){1|H<1>,6|C<3>}	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]C)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCN)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]N[5]C)(H){1|Mo<6>,1|O<2>,2|C<3>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCN){1|C<3>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]O){1|Mo<6>,2|H<1>,3|C<3>}	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{2|H<1>,4|C<3>}	110.5170	0.649	2	110.5170	0.421	2	110.5170	0.421	2	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,5a]C[5a])(N[5]C[5,5a]C[6a])(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]S[5a])(C[5]N[5]O)	C[5](C[5]C[5,5a]C[5a])(N[5]C[5,5a]C[6a])(O){1|N<3>,1|S<2>,4|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]S[5a])(C[5]N[5]O){1|H<1>,6|C<3>}	102.0190	0.000	1	102.0190	0.000	1	102.0190	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5a]C[6a])(N[5]C[5,5a]C[6a])(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[5,5a]C[6a])(N[5]C[5,5a]C[6a])(O){1|N<3>,5|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O){2|H<1>,6|C<3>}	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|H<1>,3|C<3>}	106.1880	0.000	1	106.1880	0.000	1	106.5966	0.182	16	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	107.0623	0.392	4	107.0623	0.153	4	106.5966	0.182	16	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	106.7680	0.000	1	106.7680	0.000	1	106.5966	0.182	16	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|H<1>,3|C<3>}	106.2937	0.320	3	106.2937	0.103	3	106.5966	0.182	16	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|H<1>,3|C<3>}	106.6930	0.000	1	106.6930	0.000	1	106.5966	0.182	16	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	106.4610	0.349	6	106.4610	0.121	6	106.5966	0.182	16	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-3:	C-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5]2)(O)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(C[5]C[5]O)	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]C)(N[5]C[5]2)(O){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<3>,1|H<1>}	105.9190	0.000	1	105.9190	0.000	1	105.9190	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]N)(O)	N[5](C[5]C[5]O)2(NCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]N)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(NCH){2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	105.1520	0.245	2	105.1520	0.060	2	105.1520	0.060	2	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|H<1>,4|C<3>}	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	106.5160	0.000	1	106.5160	0.000	1	106.5160	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	106.8220	0.000	1	106.8220	0.000	1	106.4650	0.255	2	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	106.1080	0.000	1	106.1080	0.000	1	106.4650	0.255	2	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:S-1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(S)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(S){1|C<4>,5|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C){2|H<1>,4|C<3>}	104.3375	0.407	2	104.3375	0.165	2	104.3375	0.165	2	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(COO)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H){1|Mn<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){2|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(COO){1|Mn<8>,3|C<3>}	107.0490	0.000	1	107.0490	0.000	1	107.0490	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:N-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NCH){1|H<1>,3|C<3>}	106.8210	0.000	1	106.8210	0.000	1	106.8210	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:P-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<3>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[5]N){1|S<1>,3|C<3>}	108.2920	0.000	1	108.2920	0.000	1	108.3980	0.022	2	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:P-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<3>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2){1|S<1>,3|C<3>}	108.5040	0.000	1	108.5040	0.000	1	108.3980	0.022	2	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|Cl<1>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|H<1>,3|C<3>}	106.2930	0.000	1	106.2930	0.000	1	106.6300	0.452	7	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSeH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|Cl<1>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSeH){1|H<1>,3|C<3>}	106.0550	0.000	1	106.0550	0.000	1	106.6300	0.452	7	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O){2|C<3>,2|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N){1|N<2>,2|C<3>}	106.8124	0.725	5	106.8124	0.525	5	106.6300	0.452	7	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]N)(C[5]N[5]O)(CCH)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N)(C[5]N[5]O)(CCH){1|C<3>,1|O<1>}	107.7780	0.000	1	107.7780	0.000	1	107.3070	0.444	2	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CCC)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CCC){1|O<1>,3|C<3>}	106.8360	0.000	1	106.8360	0.000	1	107.3070	0.444	2	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C[6])(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(C[6]C[6]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]C[6])(O){1|C<4>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O){1|C<2>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC){1|C<3>,1|O<1>}	106.6080	0.000	1	106.2290	0.287	2	105.9797	0.330	3	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC){1|C<3>,1|O<1>}	105.8500	0.000	1	106.2290	0.287	2	105.9797	0.330	3	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]C){1|C<3>,1|O<1>}	105.4810	0.000	1	105.4810	0.000	1	105.9797	0.330	3	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N[6]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]N[6])(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]O)(C[5]N[5]O)(N[6]C[6]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]N[6])(O){2|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,1|O<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(N[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	106.3060	0.000	1	106.3060	0.000	1	106.3060	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:P-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]P)(C[5]N[5]O)(PC[6a]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O){1|O<1>,1|P<3>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|H<1>,2|P<3>}	C[5](C[5]C[5]P)(C[5]N[5]O)(PC[6a]2){1|C<3>,1|O<1>}	106.6870	0.157	2	106.6870	0.025	2	106.6870	0.025	2	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|H<1>,4|C<3>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]H){1|C<3>,1|O<1>}	106.8120	0.000	1	106.8120	0.000	1	106.8120	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CCH){1|O<1>,3|C<3>}	105.1610	0.000	1	105.1610	0.000	1	104.9045	0.132	2	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[5]H){1|O<1>,3|C<3>}	104.6480	0.000	1	104.6480	0.000	1	104.9045	0.132	2	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	C[5](C[5]N[5]O)2(CHN)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]N[5]O)2(CHN){1|C<3>,1|H<1>}	105.3980	0.368	4	105.3980	0.135	4	105.4792	0.134	5	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	C[5](C[5]N[5]O)2(CN[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]N[5]O)2(CN[6]H){1|C<3>,1|H<1>}	105.8040	0.000	1	105.8040	0.000	1	105.4792	0.134	5	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:S-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(S)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[5](C[5]C[5]H)(C[5]N[5]S)(NC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(S){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]S)(NC[6a]H){1|C<3>,1|O<1>}	106.0470	0.000	1	106.0470	0.000	1	106.0470	0.000	1	106.7639	2.472	69	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(COO){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCCH){1|C<3>,1|O<1>}	105.9755	0.581	2	105.9755	0.337	2	106.3745	0.333	4	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(COO){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	106.7735	0.156	2	106.7735	0.024	2	106.3745	0.333	4	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:P-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl){1|Cl<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cl){1|P<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C){1|Cl<1>,3|C<3>}	109.0900	0.000	1	109.0900	0.000	1	108.5953	0.275	3	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:P-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2F)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl){1|Cl<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cl){1|P<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2F){1|Cl<1>,3|C<3>}	108.0460	0.000	1	108.0460	0.000	1	108.5953	0.275	3	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:Cl-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:P-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Rh)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Rh){1|P<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C){1|Rh<6>,3|C<3>}	108.6500	0.000	1	108.6500	0.000	1	108.5953	0.275	3	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6]N[5])(C[5]C[5]C)(H)	N[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)2(CH3)	C[5](N[5]C[6]N[5])(C[5]C[5]C)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)2(CH3){1|Fe<6>,1|C<3>}	106.8377	0.582	4	106.8377	0.339	4	106.8377	0.339	4	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC3)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|B<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC3){1|C<4>,3|C<3>}	110.7760	0.000	1	110.7760	0.000	1	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BCCO)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|B<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BCCO){1|C<4>,3|C<3>}	109.6650	0.000	1	109.6650	0.000	1	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|B<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|H<1>,3|C<3>}	109.6590	0.000	1	109.6590	0.000	1	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|P<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|B<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|P<3>,3|C<3>}	110.7910	0.000	1	110.7910	0.000	1	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|S<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|S<2>,3|C<3>}	110.7537	0.300	3	110.7537	0.090	3	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]V)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|V<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]V){1|B<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|V<4>,3|C<3>}	109.9360	0.000	1	109.9360	0.000	1	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|As<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|As<3>,3|C<3>}	110.4790	0.000	1	110.4790	0.000	1	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Ir<7>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<3>,3|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3){2|Ir<7>,1|C<3>,2|C<4>}	111.0190	0.000	1	111.0190	0.000	1	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Ir<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<7>,3|C<3>}	110.2780	0.000	1	110.4295	0.046	2	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Ir<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<9>,3|C<3>}	110.5810	0.000	1	110.4295	0.046	2	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Li<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Li<4>,3|C<3>}	109.4130	0.000	1	109.4130	0.000	1	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Pd<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|B<4>,2|C<3>,3|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3){1|Pd<6>,1|C<4>,2|C<3>}	110.1740	0.000	1	110.1740	0.000	1	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Se<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Se<1>,3|C<3>}	109.9110	0.000	1	109.9110	0.000	1	110.3295	0.270	15	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H){1|Cu<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	106.6310	0.000	1	106.8475	0.051	4	106.9702	0.113	5	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	106.9197	0.212	3	106.8475	0.051	4	106.9702	0.113	5	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	107.4610	0.000	1	107.4610	0.000	1	106.9702	0.113	5	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Ga-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]Ga)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaC3)	C[5](N[5]C[6a]C[5])(C[5]N[5]Ga)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ga<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaC3){1|H<1>,3|C<3>}	109.9430	0.000	1	109.9430	0.000	1	110.0593	0.490	3	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Ga-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]Ga)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCCP)	C[5](N[5]C[6a]C[5])(C[5]N[5]Ga)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ga<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCCP){1|H<1>,3|C<3>}	110.8100	0.000	1	110.8100	0.000	1	110.0593	0.490	3	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Ga-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]Ga)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCl3)	C[5](N[5]C[6a]C[5])(C[5]N[5]Ga)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ga<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCl3){1|H<1>,3|C<3>}	109.4250	0.000	1	109.4250	0.000	1	110.0593	0.490	3	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:N-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC3)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC3){1|H<1>,3|C<3>}	106.3330	0.000	1	106.3330	0.000	1	106.3097	0.001	3	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:N-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC3)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|N<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC3){1|Pd<4>,3|C<3>}	106.2980	0.017	2	106.2980	0.000	2	106.3097	0.001	3	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:P-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2O)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2O){1|S<1>,3|C<3>}	109.2940	0.000	1	109.2940	0.000	1	108.5517	0.420	3	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:P-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2S)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2S){1|S<1>,3|C<3>}	108.1805	0.112	2	108.1805	0.013	2	108.5517	0.420	3	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Si-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiC3)	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){1|Cu<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|Si<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiC3){1|Cu<2>,3|C<3>}	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	107.1420	0.654	3	107.1420	0.427	3	107.0030	0.255	5	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|O<1>}	106.7945	0.139	2	106.7945	0.019	2	107.0030	0.255	5	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]O)(C[5]N[5]O)(PC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O){2|C<3>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(PC[6a]3){1|C<3>,1|O<1>}	107.8080	0.314	2	107.8080	0.099	2	107.8080	0.099	2	108.4172	2.828	49	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:5:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Si-5:	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl4)	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Si<5>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl4){1|H<1>,3|C<3>}	108.7050	0.000	1	108.7050	0.000	1	108.7050	0.000	1	108.7050	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:4:2:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C-4:N[5]-2:	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H)	N[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H){1|Pd<4>,1|C<3>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	105.1050	0.041	2	105.1050	0.002	2	104.8230	0.091	5	104.8230	0.091	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:4:2:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C-4:N[5]-2:	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H)	N[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H){1|Re<6>,1|C<3>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<3>}	104.7900	0.000	1	104.7900	0.000	1	104.8230	0.091	5	104.8230	0.091	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:4:2:	N[5]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C-4:N[5]-2:	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H)	N[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H){1|Ru<6>,1|C<3>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<3>}	104.5575	0.248	2	104.5575	0.062	2	104.8230	0.091	5	104.8230	0.091	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:Ga[5]-4:C[5]-3:	C[5](C[5]Ga[5]N[5])(N[5]C[6a]C[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(Ga[5]N[5]2I)(C[5]N[5]H)	C[5](C[5]Ga[5]N[5])(N[5]C[6a]C[5])(H){1|H<1>,1|I<1>,2|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ga<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(Ga[5]N[5]2I)(C[5]N[5]H){1|H<1>,7|C<3>}	109.1240	0.000	1	109.1240	0.000	1	109.6650	0.585	2	108.6180	3.581	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:Ga[5]-4:C[5]-3:	C[5](C[5]Ga[5]N[5])(N[5]C[6a]C[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(Ga[5]N[5]2P)(C[5]N[5]H)	C[5](C[5]Ga[5]N[5])(N[5]C[6a]C[5])(H){1|H<1>,1|P<2>,2|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ga<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(Ga[5]N[5]2P)(C[5]N[5]H){1|H<1>,7|C<3>}	110.2060	0.000	1	110.2060	0.000	1	109.6650	0.585	2	108.6180	3.581	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:4:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,4|H<1>}	C[5](C[5]C[5]O[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.5240	0.000	1	106.5240	0.000	1	106.5240	0.000	1	108.6180	3.581	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:5:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:Si-5:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(SiC[5]Cl3)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Si<5>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(SiC[5]Cl3)(C[5]N[5]H){1|H<1>,3|C<3>}	107.8765	0.305	2	107.8765	0.093	2	108.3573	0.740	3	108.3573	0.740	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:5:3:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:Si-5:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(SiC[5]2ClFe)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){1|Ge<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|Si<5>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(SiC[5]2ClFe)(C[5]N[5]H){1|Ge<3>,3|C<3>}	109.3190	0.000	1	109.3190	0.000	1	108.3573	0.740	3	108.3573	0.740	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[5]2Rh)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<7>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5]C[5]2Rh)(C[5]N[5]H)(H){3|C<3>}	107.0600	0.000	1	107.0600	0.000	1	106.6739	0.352	21	106.6739	0.352	21	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[5]C[6]Ru)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<10>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5]C[5]C[6]Ru)(C[5]N[5]H)(H){1|C<4>,2|C<3>}	107.9020	0.000	1	107.9020	0.000	1	106.6739	0.352	21	106.6739	0.352	21	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Th)(C[5]C[5]H)	C[5](N[5]C[5]ThB)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Th<14>,1|B<5>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Th)(C[5]C[5]H){1|B<5>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5]ThB)(C[5]N[5]H)(H){1|C<3>}	106.6001	0.456	8	106.5889	0.291	19	106.6739	0.352	21	106.6739	0.352	21	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Th)(C[5]C[5]H)	C[5](N[5]C[5]ThB)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Th<17>,1|B<5>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Th)(C[5]C[5]H){1|B<5>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5]ThB)(C[5]N[5]H)(H){1|C<3>}	106.8559	0.513	7	106.5889	0.291	19	106.6739	0.352	21	106.6739	0.352	21	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]Th)(C[5]C[5]H)	C[5](N[5]C[5]ThB)(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Th<18>,1|B<5>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Th)(C[5]C[5]H){1|B<5>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5]ThB)(C[5]N[5]H)(H){1|C<3>}	106.0992	0.500	4	106.5889	0.291	19	106.6739	0.352	21	106.6739	0.352	21	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCH)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCC)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)2(CCH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCC){1|C<3>,1|O<1>}	106.7860	0.000	1	106.7860	0.000	1	106.7983	0.059	3	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(COO)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]O)2(COO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	106.8045	0.343	2	106.8045	0.118	2	106.7983	0.059	3	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(H)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]H)(COO)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(H){2|N<3>,3|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]H)(COO){2|C<4>,4|C<3>}	112.9490	0.000	1	112.9490	0.000	1	112.9490	0.000	1	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C-4:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,2|H<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<3>,1|O<1>}	107.0820	0.000	1	107.0820	0.000	1	107.0820	0.000	1	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	106.6390	0.000	1	106.6390	0.000	1	106.3478	0.272	5	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH){1|C<3>,1|O<1>}	106.2160	0.001	2	106.2160	0.000	2	106.3478	0.272	5	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H){1|C<3>,1|O<1>}	107.0300	0.000	1	107.0300	0.000	1	106.3478	0.272	5	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	105.6380	0.000	1	105.6380	0.000	1	106.3478	0.272	5	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,2|O<1>,3|C<3>}	105.8790	0.000	1	105.8790	0.000	1	106.0630	0.068	2	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]2Fe)(C[5]C[5]H)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(O){1|Fe<10>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]2Fe)(C[5]C[5]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.2470	0.000	1	106.2470	0.000	1	106.0630	0.068	2	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	P-4:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](PC[6a]2Au)(C[5]C[5]P)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O){1|O<1>,1|P<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|H<1>,2|P<4>}	C[5](PC[6a]2Au)(C[5]C[5]P)(C[5]N[5]O){1|C<3>,1|O<1>}	105.8790	0.297	4	105.8790	0.088	4	106.0838	0.248	28	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	P-4:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](PC[6a]2Cu)(C[5]C[5]P)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O){1|O<1>,1|P<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|H<1>,2|P<4>}	C[5](PC[6a]2Cu)(C[5]C[5]P)(C[5]N[5]O){1|C<3>,1|O<1>}	106.4248	0.437	12	106.4248	0.191	12	106.0838	0.248	28	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	P-4:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](PC[6a]2Pd)(C[5]C[5]P)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]P)(O){1|O<1>,1|P<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|H<1>,2|P<4>}	C[5](PC[6a]2Pd)(C[5]C[5]P)(C[5]N[5]O){1|C<3>,1|O<1>}	105.8112	0.414	12	105.8112	0.172	12	106.0838	0.248	28	106.3659	1.405	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]S[5]H)(CCHH)	C[5](C[5]N[5]Br)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(Br){1|H<1>}	N[5](C[5]C[5]Br)(C[5]S[5]H)(CCHH){1|H<1>}	C[5](C[5]N[5]Br)(S[5]C[5])(H){1|C<4>,1|H<1>}	112.8390	0.000	2	112.8390	0.000	2	112.8390	0.000	2	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5a]S[5])(C[5]C[5]H)(BC[6a]3)	C[5](C[5]N[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]B)(H){1|C<3>}	N[5](C[5]C[5a]S[5])(C[5]C[5]H)(BC[6a]3){1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(S[5]C[5])(H){1|B<4>,1|C<3>}	115.1770	0.000	1	115.1770	0.000	1	115.1770	0.000	1	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:H-1:	C[5](C[5]O[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]O[5]H)(CCHH)	C[5](C[5]N[5]H)(O[5]C[5])(H)	C[5](C[5]O[5]H)(N[5]C[5]C)(H){1|H<1>}	N[5](C[5]C[5]H)(C[5]O[5]H)(CCHH){1|H<1>}	C[5](C[5]N[5]H)(O[5]C[5])(H){1|C<4>,1|H<1>}	106.3020	0.232	2	106.3020	0.054	2	106.0373	0.237	3	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:H-1:	C[5](C[5]O[5]H)(N[5]C[5]C)(H)	N[5](C[5]O[5]Pt)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(O[5]C[5])(H)	C[5](C[5]O[5]H)(N[5]C[5]C)(H){1|Pt<6>}	N[5](C[5]O[5]Pt)(C[5]C[5]H)(CH3){1|H<1>}	C[5](C[5]N[5]H)(O[5]C[5])(H){1|Pt<6>,1|C<4>}	105.5080	0.000	1	105.5080	0.000	1	106.0373	0.237	3	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:Br-1:	C[5](C[5]S[5]Br)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3)	C[5](C[5]N[5]H)(S[5]C[5])(Br)	C[5](C[5]S[5]Br)(N[5]C[5]C)(H){1|N<2>}	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3){1|Br<1>}	C[5](C[5]N[5]H)(S[5]C[5])(Br){1|C<4>,1|N<2>}	112.6855	0.073	2	112.6855	0.005	2	112.6855	0.005	2	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]C)(CCHH)	C[5](C[5]N[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(C[5]S[5]C)(CCHH){1|H<1>}	C[5](C[5]N[5]H)(S[5]C[5])(H){2|C<4>}	111.5340	0.000	1	111.5340	0.000	1	112.3870	1.455	2	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3)	C[5](C[5]N[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(H){1|N<2>}	N[5](C[5]C[5]H)(C[5]S[5]N)(CH3){1|H<1>}	C[5](C[5]N[5]H)(S[5]C[5])(H){1|C<4>,1|N<2>}	113.2400	0.000	1	113.2400	0.000	1	112.3870	1.455	2	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:I-1:	C[5](C[5]S[5]I)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]S)(CCHH)	C[5](C[5]N[5]H)(S[5]C[5])(I)	C[5](C[5]S[5]I)(N[5]C[5]C)(H){1|S<1>}	N[5](C[5]C[5]H)(C[5]S[5]S)(CCHH){1|I<1>}	C[5](C[5]N[5]H)(S[5]C[5])(I){1|C<4>,1|S<1>}	112.7265	0.226	2	112.7265	0.051	2	112.7265	0.051	2	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-2:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](C[5]C[5]H)(N[5]C[5]W)(BN[5]2H)	C[5](C[5]N[5]H)(C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|W<7>}	N[5](C[5]C[5]H)(N[5]C[5]W)(BN[5]2H){1|H<1>}	C[5](C[5]N[5]H)(C[5]N[5])(H){1|B<4>,1|W<7>}	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-2:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Os)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)(C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Os<6>}	N[5](N[5]C[5]Os)(C[5]C[5]H)(BN[5]2H){1|H<1>}	C[5](C[5]N[5]H)(C[5]N[5])(H){1|Os<6>,1|B<4>}	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-2:H-1:	C[5](C[5]N[5]H)(N[5]N[5]B)(H)	N[5](N[5]N[5]Co)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)(N[5]N[5])(H)	C[5](C[5]N[5]H)(N[5]N[5]B)(H){1|Co<6>}	N[5](N[5]N[5]Co)(C[5]C[5]H)(BN[5]2H){1|H<1>}	C[5](C[5]N[5]H)(N[5]N[5])(H){1|Co<6>,1|B<4>}	105.8950	0.000	1	105.8950	0.000	1	105.6830	0.034	3	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-2:H-1:	C[5](C[5]N[5]H)(N[5]N[5]B)(H)	N[5](N[5]N[5]Fe)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)(N[5]N[5])(H)	C[5](C[5]N[5]H)(N[5]N[5]B)(H){1|Fe<6>}	N[5](N[5]N[5]Fe)(C[5]C[5]H)(BN[5]2H){1|H<1>}	C[5](C[5]N[5]H)(N[5]N[5])(H){1|Fe<6>,1|B<4>}	105.6020	0.000	1	105.6020	0.000	1	105.6830	0.034	3	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-2:H-1:	C[5](C[5]N[5]H)(N[5]N[5]B)(H)	N[5](N[5]N[5]Ni)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)(N[5]N[5])(H)	C[5](C[5]N[5]H)(N[5]N[5]B)(H){1|Ni<6>}	N[5](N[5]N[5]Ni)(C[5]C[5]H)(BN[5]2H){1|H<1>}	C[5](C[5]N[5]H)(N[5]N[5])(H){1|Ni<6>,1|B<4>}	105.5520	0.000	1	105.5520	0.000	1	105.6830	0.034	3	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:I-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]S[5]H)(CCHH)	C[5](C[5]N[5]I)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(I){1|H<1>}	N[5](C[5]C[5]I)(C[5]S[5]H)(CCHH){1|H<1>}	C[5](C[5]N[5]I)(S[5]C[5])(H){1|C<4>,1|H<1>}	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:I-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:I-1:	C[5](C[5]S[5]I)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]S[5]S)(CCHH)	C[5](C[5]N[5]I)(S[5]C[5])(I)	C[5](C[5]S[5]I)(N[5]C[5]C)(I){1|S<1>}	N[5](C[5]C[5]I)(C[5]S[5]S)(CCHH){1|I<1>}	C[5](C[5]N[5]I)(S[5]C[5])(I){1|C<4>,1|S<1>}	113.4580	0.000	1	113.4580	0.000	1	113.4580	0.000	1	110.2785	11.394	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:P-3:	C[5](C[5]S[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3)	C[5](C[5]N[5]H)(S[5]C[5])(PC[6a]2)	C[5](C[5]S[5]P)(N[5]C[5]C)(H){1|S<1>}	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3){1|P<3>}	C[5](C[5]N[5]H)(S[5]C[5])(PC[6a]2){1|C<4>,1|S<1>}	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]C)(CCHH){1|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	103.6290	0.239	7	103.6290	0.057	7	103.4237	0.187	64	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]C)(CH3){1|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	103.3838	0.465	48	103.3838	0.216	48	103.4237	0.187	64	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]N)	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]H)(CCHH){1|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]N){1|C<4>,1|H<1>}	104.2840	0.000	1	104.2840	0.000	1	103.4237	0.187	64	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|S<2>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<4>,1|S<2>}	103.0210	0.000	1	103.0210	0.000	1	103.4237	0.187	64	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(CH3)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H)	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(CH3){3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	103.3010	0.000	1	103.3010	0.000	1	103.4237	0.187	64	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(CH3)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(CH3){3|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	103.4475	0.013	6	103.4475	0.000	6	103.4237	0.187	64	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:C-3:	C[5](C[5]O[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H)	C[5](C[5]O[5]C)(N[5]C[5]C)(O){1|O<1>}	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH){1|C<3>}	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	103.1280	0.000	1	103.1280	0.000	1	103.3978	1.074	5	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:C-3:	C[5](C[5]O[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]2)	C[5](C[5]O[5]C)(N[5]C[5]C)(O){1|O<1>}	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){1|C<3>}	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]2){1|C<4>,1|O<1>}	101.7440	0.000	1	101.7440	0.000	1	103.3978	1.074	5	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:O[5]-2:C-3:	C[5](C[5]O[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H)	C[5](C[5]O[5]C)(N[5]C[5]C)(O){1|O<1>}	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){1|C<3>}	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	104.0390	0.356	3	104.0390	0.127	3	103.3978	1.074	5	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C[5](C[5]S[5]C)(N[5]C[5]C)(O){1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	110.8533	0.609	3	110.8533	0.370	3	110.8382	0.161	6	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]CH)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C[5](C[5]S[5]C)(N[5]C[5]C)(O){1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]CH){1|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	111.0160	0.000	1	111.0160	0.000	1	110.8382	0.161	6	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C[5](C[5]S[5]C)(N[5]C[5]C)(O){1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH){1|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	110.6710	0.000	1	110.6710	0.000	1	110.8382	0.161	6	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C[5](C[5]S[5]C)(N[5]C[5]C)(O){1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	110.7820	0.000	1	110.7820	0.000	1	110.8382	0.161	6	104.1529	5.716	76	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]N[5])(CCHH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>}	C[5](C[5]N[5]H)(N[5]N[5])(CCHH){1|Pd<4>,1|C<4>}	105.7010	0.000	1	105.7010	0.000	1	105.2300	0.156	4	105.0452	0.288	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]N[5])(CC3)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|C<4>}	C[5](C[5]N[5]H)(N[5]N[5])(CC3){1|Re<6>,1|C<4>}	105.4050	0.000	1	105.4050	0.000	1	105.2300	0.156	4	105.0452	0.288	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]N[5])(CHHO)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|C<4>}	C[5](C[5]N[5]H)(N[5]N[5])(CHHO){1|Re<6>,1|C<4>}	104.9070	0.085	2	104.9070	0.007	2	105.2300	0.156	4	105.0452	0.288	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-2:Si-4:	C[5](C[5]N[5]Si)(N[5]N[5]C)(H)	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]N[5])(SiC3)	C[5](C[5]N[5]Si)(N[5]N[5]C)(H){1|Re<6>}	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|Si<4>}	C[5](C[5]N[5]H)(N[5]N[5])(SiC3){1|Re<6>,1|C<4>}	104.3060	0.000	1	104.3060	0.000	1	104.3060	0.000	1	105.0452	0.288	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Br-1:	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH)	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|Br<1>,1|C<4>}	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CCHH){1|Br<1>,1|C<4>}	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|Br<1>,1|C<4>}	107.4435	0.494	11	107.4435	0.244	11	107.5619	0.418	20	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Br-1:	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CH3)	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|Br<1>,1|C<4>}	N[5](C[5]C[5]Br)(C[5]N[5]Br)(CH3){1|Br<1>,1|C<4>}	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|Br<1>,1|C<4>}	108.2995	0.879	4	108.2995	0.773	4	107.5619	0.418	20	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Br-1:	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]Br)(N[5]C[5]H)(Br)	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|C<4>,1|H<1>}	N[5](C[5]C[5]Br)(C[5]N[5]C)(CH3){1|Br<1>,1|H<1>}	C[5](C[5]N[5]Br)(N[5]C[5]H)(Br){2|C<4>}	107.1520	0.000	1	107.1520	0.000	1	107.5619	0.418	20	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Br-1:	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|C<4>,1|H<1>}	N[5](C[5]C[5]Br)(C[5]N[5]H)(CCHH){1|Br<1>,1|C<4>}	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|C<4>,1|H<1>}	107.2315	0.006	2	107.2315	0.000	2	107.5619	0.418	20	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Br-1:	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	N[5](C[5]C[5]Br)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br)	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|C<4>,1|H<1>}	N[5](C[5]C[5]Br)(C[5]N[5]H)(CH3){1|Br<1>,1|C<4>}	C[5](C[5]N[5]Br)(N[5]C[5]C)(Br){1|C<4>,1|H<1>}	107.2735	0.552	2	107.2735	0.305	2	107.5619	0.418	20	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]B)(Br)	N[5](C[5]C[5]Br)(N[5]C[5]Cu)(BN[5]2H)	C[5](C[5]N[5]Br)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(Br){1|Br<1>,1|Cu<4>}	N[5](C[5]C[5]Br)(N[5]C[5]Cu)(BN[5]2H){2|Br<1>}	C[5](C[5]N[5]Br)2(Br){1|Cu<4>,1|B<4>}	108.9105	0.638	6	108.9105	0.408	6	109.2233	0.488	9	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Br-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]B)(Br)	N[5](C[5]C[5]Br)(N[5]C[5]Mo)(BN[5]2H)	C[5](C[5]N[5]Br)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(Br){1|Br<1>,1|Mo<8>}	N[5](C[5]C[5]Br)(N[5]C[5]Mo)(BN[5]2H){2|Br<1>}	C[5](C[5]N[5]Br)2(Br){1|Mo<8>,1|B<4>}	109.8490	0.233	3	109.8490	0.054	3	109.2233	0.488	9	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<3>,1|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,3|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<3>,1|C<4>}	107.2080	0.344	2	107.2664	0.109	8	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<4>,1|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|C<3>,3|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<4>,1|C<4>}	107.3700	0.427	4	107.2664	0.109	8	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<4>,1|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]Cl)(CH3){1|Cl<1>,1|H<1>,3|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|B<4>,1|C<4>}	107.1175	0.043	2	107.2664	0.109	8	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|C<4>,1|H<1>}	N[5](C[5]C[5]Cl)(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|C<4>,1|H<1>}	107.0635	0.046	2	107.0635	0.002	2	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<4>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<4>,1|C<4>}	106.9170	0.000	1	107.2546	0.688	7	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<6>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<6>,1|C<4>}	106.5830	0.000	1	107.2546	0.688	7	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	108.2255	0.138	2	107.2546	0.688	7	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<9>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CCHH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<9>,1|C<4>}	106.9437	0.828	3	107.2546	0.688	7	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<6>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<6>,1|C<4>}	108.9970	0.000	1	107.6907	2.007	3	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CC[6a]HH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	107.0375	1.206	2	107.6907	2.007	3	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<4>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<4>,1|C<4>}	107.5030	0.000	1	108.7495	3.108	2	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<9>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CH3){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<9>,1|C<4>}	109.9960	0.000	1	108.7495	3.108	2	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CN[5]HH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ir)(CN[5]HH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ir<8>,1|C<4>}	106.0577	1.574	4	106.0577	2.478	4	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CCHH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	107.3105	0.525	4	107.3105	0.275	4	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CC[6a]HH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CC[6a]HH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	106.8930	1.209	3	106.8930	1.461	3	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CH3)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Pd)(CH3){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pd<4>,1|C<4>}	107.0977	0.097	3	107.0977	0.009	3	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Pt)(CCHH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pt<5>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Pt)(CCHH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Pt<5>,1|C<4>}	106.6115	0.325	2	106.6115	0.105	2	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	106.8945	0.308	2	107.5008	0.387	5	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CCHH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	107.9050	0.338	3	107.5008	0.387	5	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<4>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<4>,1|C<4>}	107.2000	0.464	2	107.3448	0.493	6	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CC[6a]HH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	107.4172	0.854	4	107.3448	0.493	6	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	107.2780	0.288	5	107.2543	0.070	6	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CH3){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	107.1360	0.000	1	107.2543	0.070	6	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5]HH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5]HH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	106.1595	0.818	6	106.1595	0.669	6	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<6>,1|C<4>}	106.8410	0.000	1	107.1033	0.103	3	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Rh)(CN[5a]HH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Rh<8>,1|C<4>}	107.2345	0.320	2	107.1033	0.103	3	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CCHH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<6>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CCHH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<6>,1|C<4>}	107.3795	0.097	2	107.3795	0.009	2	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CC[6]HH)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<9>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CC[6]HH){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<9>,1|C<4>}	106.6050	0.000	1	106.6050	0.000	1	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Cl-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Cl-1:	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CH3)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl)	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<9>,1|C<4>}	N[5](C[5]C[5]Cl)(C[5]N[5]Ru)(CH3){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]Cl)(N[5]C[5]C)(Cl){1|Ru<9>,1|C<4>}	107.3860	0.000	1	107.3860	0.000	1	107.1235	0.751	68	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[4,5]-3:C[5]-3:C-4:	N[4,5]-3:C[5]-3:H-1:	C[5](C[5]N[4,5]H)(N[5]C[4,5]C)(H)	N[5](C[4,5]N[4,5]S[4])(C[5]C[5]H)(CC3)	C[5](N[4,5]C[4,5]In[4])(C[5]N[5]H)(H)	C[5](C[5]N[4,5]H)(N[5]C[4,5]C)(H){1|In<5>,1|S<2>}	N[5](C[4,5]N[4,5]S[4])(C[5]C[5]H)(CC3){1|In<5>,1|H<1>}	C[5](N[4,5]C[4,5]In[4])(C[5]N[5]H)(H){1|Cl<1>,1|C<4>,3|S<2>}	106.6315	3.166	2	106.6315	10.022	2	106.6315	10.022	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){1|B<4>,1|C<4>}	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){1|Cl<1>,1|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){1|B<4>,4|C<4>}	108.2110	0.000	1	107.8833	0.110	4	107.7480	0.441	8	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){1|B<4>,1|C<4>}	N[5](C[5,5]N[5,5]B[5])(C[5]C[5]H)(CC3){2|Br<1>,1|H<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){1|B<4>,4|C<4>}	107.7740	0.306	3	107.8833	0.110	4	107.7480	0.441	8	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){2|C<4>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	108.9300	0.000	1	107.8585	2.296	2	107.7480	0.441	8	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){2|C<4>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	106.7870	0.000	1	107.8585	2.296	2	107.7480	0.441	8	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	N[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)(CCCH)	C[5](N[5,5]B[5,5,6,6]C[5,5])(C[5]N[5]H)(H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){1|B<4>,1|S<2>}	N[5](C[5,5]N[5,5]S[5])(C[5]C[5]H)(CCCH){1|H<1>,2|B<4>}	C[5](N[5,5]B[5,5,6,6]C[5,5])(C[5]N[5]H)(H){1|B<4>,2|C<4>,2|S<2>}	107.3670	0.273	2	107.3670	0.074	2	107.7480	0.441	8	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,5a]-3:C[5]-3:C-4:	N[5,5a]-3:C[5]-3:H-1:	C[5](C[5]N[5,5a]H)(N[5]C[5,5a]C)(H)	N[5](C[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC[6a]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]H)(H)	C[5](C[5]N[5,5a]H)(N[5]C[5,5a]C)(H){1|B<4>,1|C<3>}	N[5](C[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	107.4420	0.088	2	107.4420	0.008	2	107.4420	0.008	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]In[6,6]N[5,6])(C[5]C[5]H)(CCHH)	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]H)(H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|In<5>,1|B<4>}	N[5](C[5,6]In[6,6]N[5,6])(C[5]C[5]H)(CCHH){1|Br<1>,1|B<4>,1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]H)(H){1|In<5>,1|N<3>,3|C<4>}	107.0602	0.628	4	107.0602	0.395	4	107.5042	0.236	25	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CC[6a]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|B<4>,1|C<4>}	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	107.3690	0.000	1	107.3690	0.000	1	107.5042	0.236	25	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CH3)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|B<4>,1|C<3>}	N[5](C[5,6]N[5,6]B[6])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<2>}	107.5260	0.000	1	107.5260	0.000	1	107.5042	0.236	25	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<3>,1|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,3|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	107.9010	0.000	1	107.9010	0.000	1	107.5042	0.236	25	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3)	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]H)(H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|Ge<4>,1|B<4>}	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]H)(H){1|Ge<4>,1|C<4>,1|N<3>,2|C<3>}	108.0890	0.061	2	108.0890	0.004	2	107.5042	0.236	25	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|Ge<2>,1|C<4>}	N[5](C[5,6]N[5,6]Ge[6])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<2>,2|C<4>,2|H<1>}	108.8630	0.000	1	108.8630	0.000	1	107.5042	0.236	25	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CC[6a]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<4>,1|P<2>}	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|C<4>,1|N<3>,1|P<2>,2|H<1>}	107.3805	0.215	4	107.3805	0.046	4	107.5042	0.236	25	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<4>,1|P<2>}	N[5](C[5,6]N[5,6]P[6])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|C<4>,1|N<3>,1|P<2>,2|H<1>}	107.4797	0.263	8	107.4797	0.069	8	107.5042	0.236	25	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]S[6])(C[5]C[5]H)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<4>,1|S<2>}	N[5](C[5,6]N[5,6]S[6])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|S<2>,2|C<4>,2|H<1>}	107.3890	0.349	3	107.3890	0.122	3	107.5042	0.236	25	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C-4:	N[5,6a,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6a,6a]H)(N[5]C[5,6a,6a]C)(H)	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3)	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H)	C[5](C[5]N[5,6a,6a]H)(N[5]C[5,6a,6a]C)(H){2|B<4>}	N[5](C[5,6a,6a]N[5,6a,6a]B[3x6a])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6a,6a]C[5,6a,6a]B[3x6a])(C[5]N[5]H)(H){1|B<4>,1|C<4>,3|C<3>}	107.1495	0.042	2	107.1495	0.002	2	107.1495	0.002	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H){2|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.2970	0.000	1	108.2970	0.000	1	108.6350	0.228	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(H){2|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](N[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(H){1|C<4>,1|N<2>,2|C<3>}	108.9730	0.000	1	108.9730	0.000	1	108.6350	0.228	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	108.9950	0.000	1	108.9950	0.000	1	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|B<4>,1|H<1>}	108.2805	0.227	4	108.2805	0.051	4	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	108.5510	0.000	1	108.5510	0.000	1	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BCl3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BCl3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|B<4>,1|H<1>}	108.2380	0.000	1	108.2380	0.000	1	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	108.7420	0.000	1	108.7420	0.000	1	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	108.5292	0.620	4	108.5292	0.384	4	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5a]3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5a]3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|B<4>,1|H<1>}	107.6040	0.000	1	107.6040	0.000	1	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(BN[5]2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]O)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|O<2>}	108.3910	0.000	1	108.3910	0.000	1	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(BN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]O)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|O<2>}	109.2092	0.277	4	109.1093	0.069	8	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(BN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|O<3>}	N[5](C[5]C[5]H)(C[5]N[5]O)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|O<3>}	109.0093	0.242	4	109.1093	0.069	8	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2C)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2C){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<1>}	108.2800	0.000	1	108.3077	1.243	9	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2C)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2C){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.3111	1.192	8	108.3077	1.243	9	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Cl)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Cl){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	107.9210	0.000	1	107.9210	0.000	1	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Co)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Co){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	107.9773	0.387	3	107.9773	0.150	3	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2F)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2F){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.2765	0.264	6	108.2765	0.069	6	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<1>}	108.5226	0.444	20	108.6378	0.274	207	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.6502	0.531	187	108.6378	0.274	207	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Ir)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Ir){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.3390	0.205	3	108.3390	0.042	3	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2N)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2N){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.3545	0.333	15	108.3545	0.111	15	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Ni)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Ni){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	107.6369	0.412	10	107.6369	0.170	10	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2O)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2O){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<1>}	108.3215	0.170	2	108.5467	0.094	6	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2O)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2O){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.6593	0.309	4	108.5467	0.094	6	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Rh)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Rh){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	107.3793	0.576	3	107.3793	0.332	3	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Ru)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2Ru){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.3357	1.045	6	108.3357	1.091	6	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<1>}	108.6870	0.235	5	108.7917	0.274	59	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.8014	0.543	54	108.7917	0.274	59	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]IrH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]IrH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.1080	0.372	2	108.1080	0.138	2	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]RuH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]RuH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.3270	0.369	8	108.3270	0.136	8	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]U)(BN[5]CC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|U<8>}	N[5](C[5]C[5]H)(C[5]N[5]U)(BN[5]CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|U<8>}	108.4543	0.373	10	108.4543	0.139	10	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(BC[6a]3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|B<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(BC[6a]3){1|B<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|B<4>,1|C<3>}	108.5358	0.520	10	108.5358	0.270	10	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(BN[5]CC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Al<5>,1|C<4>}	N[5](C[5]N[5]Al)(C[5]C[5]H)(BN[5]CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<5>,1|B<4>}	108.2195	0.767	2	108.2195	0.589	2	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Ca)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ca<5>,1|C<4>}	N[5](C[5]N[5]Ca)(C[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ca<5>,1|B<4>}	107.8000	0.087	3	107.8000	0.008	3	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(BN[5]CC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Cu<2>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(BN[5]CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|B<4>}	108.3590	0.090	4	108.3590	0.008	4	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(BN[5]CC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<4>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(BN[5]CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|B<4>}	108.3692	0.438	4	108.2269	0.170	12	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(BN[5]CC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<5>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(BN[5]CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|B<4>}	107.9073	0.125	4	108.2269	0.170	12	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(BN[5]CC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<6>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(BN[5]CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|B<4>}	108.4042	0.458	4	108.2269	0.170	12	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<4>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|B<4>}	108.2642	0.332	17	108.2642	0.111	17	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ir<4>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|B<4>}	108.3105	0.087	2	108.3105	0.008	2	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|B<4>}	107.9320	0.317	2	107.9320	0.100	2	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(BN[5]CC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(BN[5]CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|B<4>}	108.2085	0.144	2	108.2085	0.021	2	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(BN[5]FF)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Rh<4>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(BN[5]FF){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|B<4>}	108.1755	0.472	2	108.1755	0.222	2	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Rh<4>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|B<4>}	108.1040	0.253	2	108.1040	0.064	2	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Se<2>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|B<4>}	109.0305	1.142	2	109.0305	1.304	2	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Se<2>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|B<4>}	109.0240	0.333	4	109.0240	0.111	4	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Sr)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Sr<7>,1|C<4>}	N[5](C[5]N[5]Sr)(C[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Sr<7>,1|B<4>}	107.7880	0.285	3	107.7880	0.081	3	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Th)(C[5]C[5]H)(BN[5]CC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Th<8>,1|C<4>}	N[5](C[5]N[5]Th)(C[5]C[5]H)(BN[5]CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Th<8>,1|B<4>}	108.4800	0.210	8	108.4800	0.044	8	108.5300	0.318	445	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BC[6a]3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|H<1>,2|C<3>}	109.3340	0.000	1	109.3340	0.000	1	108.3822	0.750	82	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]HH)	C[5](N[5]C[5]Ag)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ag<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]HH){1|Ag<4>,1|H<1>}	C[5](N[5]C[5]Ag)(C[5]N[5]H)(H){1|B<4>,1|H<1>}	108.0450	0.218	2	108.0450	0.047	2	108.3822	0.750	82	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|H<1>,2|C<3>}	108.0903	0.415	3	108.0903	0.172	3	108.3822	0.750	82	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5a]3)	C[5](N[5]C[5]Li)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Li<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5a]3){1|Li<5>,1|H<1>}	C[5](N[5]C[5]Li)(C[5]N[5]H)(H){1|B<4>,1|H<1>}	107.6040	0.000	1	107.6040	0.000	1	108.3822	0.750	82	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|B<4>,1|S<2>,3|C<4>}	108.5397	0.354	10	108.5397	0.125	10	108.3822	0.750	82	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<3>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|S<1>,2|C<3>}	108.8555	0.277	6	108.4551	0.898	47	108.3822	0.750	82	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<3>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]2H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|S<2>,2|C<3>}	108.3966	0.998	41	108.4551	0.898	47	108.3822	0.750	82	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<3>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BN[5]3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|S<2>,2|C<3>}	108.4403	0.036	3	108.4403	0.001	3	108.3822	0.750	82	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Li)(C[5]C[5]H)(BN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Li<3>,1|C<3>}	N[5](C[5]N[5]Li)(C[5]C[5]H)(BN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Li<3>,1|B<4>,2|C<3>}	107.4130	0.000	1	107.4130	0.000	1	108.3822	0.750	82	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Se<2>,1|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,1|B<4>,2|C<3>}	108.1666	1.172	11	108.1666	1.373	11	108.3822	0.750	82	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Ta)(C[5]C[5]H)(BN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ta<7>,1|C<3>}	N[5](C[5]N[5]Ta)(C[5]C[5]H)(BN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ta<7>,1|B<4>,2|C<3>}	108.2280	0.287	3	108.2280	0.083	3	108.3822	0.750	82	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HN)	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HN){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|C<4>,1|O<1>}	105.0560	0.000	1	105.0560	0.000	1	105.0560	0.000	1	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	106.9305	0.142	2	106.9305	0.020	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	106.9495	0.008	2	106.9495	0.000	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|B<4>,1|B<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.0475	0.479	2	106.9577	0.037	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	106.8010	0.081	2	106.9577	0.037	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	106.9525	0.018	2	106.9577	0.037	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	106.9345	0.211	2	106.9577	0.037	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.0165	0.218	2	106.9577	0.037	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<4>,2|B<4>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|C<4>}	106.9940	0.086	2	106.9577	0.037	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	106.9900	0.203	6	106.9893	0.065	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[3a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	106.9887	0.319	6	106.9893	0.065	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.0865	0.438	2	107.0654	0.044	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[4]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.0601	0.171	8	107.0654	0.044	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[5,5]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.0645	0.713	2	107.0645	0.509	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.0148	0.261	4	107.0376	0.051	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,3|O<2>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.0065	0.307	4	107.0376	0.051	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.0915	0.137	4	107.0376	0.051	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|F<1>,1|H<1>,2|O<2>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	106.7115	0.132	2	106.7115	0.017	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	107.6100	0.413	2	107.6100	0.171	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	N[5](C[5]B[5a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	107.2840	0.028	2	107.2840	0.001	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.1115	0.260	6	107.1115	0.068	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CCHH){2|H<1>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	106.6460	0.000	1	106.6460	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){2|H<1>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	106.7670	0.209	2	106.7670	0.044	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	107.8080	0.253	2	107.8152	0.018	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.8187	0.097	4	107.8152	0.018	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	107.3942	0.459	4	107.1785	0.305	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.0706	0.592	8	107.1785	0.305	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.4820	0.000	1	107.4820	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.3990	0.260	14	107.3990	0.067	14	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	107.5020	0.522	2	107.5020	0.272	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|C<4>}	106.9045	0.184	6	106.9527	0.149	65	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	106.9576	0.402	59	106.9527	0.149	65	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.7851	0.337	9	107.7139	0.144	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	107.5003	0.498	3	107.7139	0.144	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.1993	0.192	4	107.2572	0.176	16	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	107.2765	0.478	12	107.2572	0.176	16	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.2415	0.120	2	107.1561	1.034	57	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	107.1529	1.035	55	107.1561	1.034	57	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){2|C<4>}	107.4124	0.520	11	107.4124	0.270	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	107.1425	0.047	2	107.1425	0.002	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.4930	0.525	5	107.2266	0.298	25	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	107.1600	0.543	20	107.2266	0.298	25	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	106.4470	0.000	1	107.2656	1.076	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){2|C<4>}	107.3400	1.054	11	107.2656	1.076	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<2>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<2>,1|C<4>}	107.8863	0.563	4	107.2586	0.513	103	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.3410	0.344	7	107.2586	0.513	103	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	107.2250	0.733	92	107.2586	0.513	103	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	107.5310	0.157	2	107.2601	0.180	14	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){2|C<4>}	107.2150	0.442	12	107.2601	0.180	14	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|H<1>,1|P<4>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){2|C<4>}	107.5530	0.000	1	107.5530	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CHHO)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CHHO){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	106.8555	0.115	2	106.8555	0.013	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	106.8806	0.264	5	106.8806	0.070	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CPdCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CPdCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	106.7758	0.198	4	106.7758	0.039	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|N<2>}	107.7000	0.535	2	107.7000	0.286	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	106.8890	0.374	7	106.8890	0.140	7	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.4690	0.562	42	107.4690	0.316	42	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	106.8700	0.000	1	106.8700	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|N<2>}	107.6680	0.000	1	107.7628	0.240	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){2|H<1>,3|C<4>}	107.7865	0.563	4	107.7628	0.240	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.1169	0.403	22	107.1169	0.162	22	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	107.1435	0.468	4	107.1435	0.219	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|H<1>,1|P<3>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|C<4>,1|H<1>}	108.1910	0.000	1	108.1910	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Fe<10>,1|H<1>,3|C<4>}	107.3050	0.000	1	107.3050	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	105.5180	0.000	1	105.5180	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.2210	0.000	1	107.2311	1.672	569	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.2329	1.293	568	107.2311	1.672	569	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	107.6086	1.438	107	107.6086	2.068	107	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.0147	0.564	15	107.0147	0.318	15	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	106.3560	0.195	2	106.3560	0.038	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.0517	0.323	4	107.0517	0.104	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	106.5527	0.355	3	106.5527	0.126	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.5490	1.858	7	106.5490	3.453	7	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.9640	0.223	2	106.9640	0.050	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.3780	0.000	1	107.3780	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	106.8305	0.231	2	106.8305	0.053	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.3578	0.802	9	107.3578	0.643	9	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|C<3>}	107.0940	0.000	1	107.0940	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.7828	1.193	6	107.1476	0.304	188	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.1596	0.520	182	107.1476	0.304	188	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	107.3244	0.535	35	107.3244	0.286	35	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|C<3>}	107.2940	0.000	1	107.1278	0.587	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Fe<10>,1|H<1>,3|C<4>}	107.3280	0.164	2	107.1278	0.587	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){2|H<1>,3|C<4>}	107.0144	0.989	5	107.1278	0.587	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	106.5640	0.000	1	106.5640	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<2>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<2>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.9180	0.000	1	107.1879	1.838	524	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.4197	0.058	3	107.1879	1.838	524	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.1871	1.361	520	107.1879	1.838	524	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	107.7143	1.935	36	107.7143	3.743	36	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]O)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|O<1>}	C[5](C[5]N[5]H)(N[5]C[5]O)(H){1|C<4>,1|H<1>}	106.9050	0.129	2	106.9050	0.017	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]V)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|V<5>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|V<5>}	C[5](C[5]N[5]H)(N[5]C[5]V)(H){1|C<4>,1|H<1>}	104.2680	0.000	1	105.4047	1.020	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]V)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|V<6>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|H<1>,1|V<6>}	C[5](C[5]N[5]H)(N[5]C[5]V)(H){1|C<4>,1|H<1>}	105.9730	0.318	2	105.4047	1.020	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.1446	0.335	5	107.1446	0.112	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.6783	0.270	4	106.6783	0.073	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.7985	0.244	27	106.7985	0.060	27	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.0440	0.000	1	107.0440	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CPtCH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CPtCH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	106.7370	0.000	1	106.7370	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CSeHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.1695	0.284	6	107.1695	0.081	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]I)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|I<1>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]I)(CC3){1|H<1>,1|N<2>}	C[5](C[5]N[5]H)(N[5]C[5]N)(H){1|C<4>,1|I<1>}	109.1570	0.000	1	109.1570	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]I)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|I<1>}	N[5](C[5]C[5]H)(C[5]N[5]I)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|I<1>}	108.1642	2.188	8	108.1642	4.786	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|I<1>}	N[5](C[5]C[5]H)(C[5]N[5]I)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|I<1>}	105.2216	4.193	8	105.2216	17.582	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	108.4050	0.352	61	108.3261	0.168	82	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>}	108.0967	0.487	21	108.3261	0.168	82	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	107.4815	0.371	2	107.6545	0.172	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>}	107.8275	0.507	2	107.6545	0.172	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	107.0220	0.000	1	107.0220	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<3>}	107.7840	0.000	1	107.7840	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC[6a]HH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|N<2>}	106.5620	0.000	1	106.5620	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	107.5633	0.405	9	107.5633	0.164	9	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|O<2>}	107.6586	0.372	5	107.5866	0.083	9	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|O<3>}	N[5](C[5]C[5]H)(C[5]N[5]O)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|O<3>}	107.4965	0.133	4	107.5866	0.083	9	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>}	107.7720	0.000	1	107.7720	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>}	107.5920	0.000	1	107.5920	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<2>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<2>}	107.2977	0.460	6	107.2640	0.155	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<3>}	107.1630	0.051	2	107.2640	0.155	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<3>}	107.4910	0.000	1	108.3030	0.660	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	108.5737	0.741	3	108.3030	0.660	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<3>}	107.1947	0.127	3	107.1683	0.040	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	107.1377	0.326	3	107.1683	0.040	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<6>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<6>}	107.1745	0.173	2	107.1683	0.040	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|P<4>}	106.8580	0.000	1	106.8580	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<1>}	107.9047	0.405	16	107.6708	0.241	194	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	107.6551	0.497	172	107.6708	0.241	194	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|B<5>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	107.4975	0.376	6	107.6708	0.241	194	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|S<2>}	108.1290	0.525	12	108.1290	0.276	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	107.4020	0.314	3	107.4020	0.098	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	107.3635	0.562	2	107.3635	0.316	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|S<1>}	107.1640	0.407	2	107.1640	0.166	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	106.8799	0.314	9	106.8799	0.099	9	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	107.8080	0.025	2	107.3410	0.570	45	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	107.4405	0.427	11	107.3410	0.570	45	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	107.2387	0.865	30	107.3410	0.570	45	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<3>}	107.8605	0.409	2	107.3410	0.570	45	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	107.2410	0.165	4	107.2410	0.027	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	107.3894	0.426	8	107.7267	1.651	23	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	107.9065	1.551	15	107.7267	1.651	23	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CFFH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	106.5890	0.000	1	106.5890	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<1>}	106.9241	0.293	15	107.0200	0.538	201	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	107.0319	0.693	149	107.0200	0.538	201	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<5>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	107.0111	0.987	37	107.0200	0.538	201	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	107.3680	0.000	1	107.4754	0.576	110	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	107.7425	0.265	2	107.4754	0.576	110	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	107.3637	0.285	15	107.4754	0.576	110	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	107.4901	0.825	91	107.4754	0.576	110	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<3>}	107.3860	0.000	1	107.4754	0.576	110	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|S<1>}	107.6740	0.371	2	107.2104	0.974	41	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|S<2>}	107.1840	1.018	38	107.2104	0.974	41	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|H<1>,1|S<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|S<3>}	107.2870	0.000	1	107.2104	0.974	41	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	107.0200	0.222	3	107.1354	0.542	35	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	107.1469	0.781	31	107.1354	0.542	35	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<3>}	107.1260	0.000	1	107.1354	0.542	35	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	107.0730	0.000	1	107.0730	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]U)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|U<8>}	N[5](C[5]C[5]H)(C[5]N[5]U)(CCHH){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|U<8>}	106.0685	0.124	2	106.0685	0.015	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]U)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|U<8>}	N[5](C[5]C[5]H)(C[5]N[5]U)(CN[5]HH){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|U<8>}	105.8881	0.183	8	105.8881	0.034	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]W)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|W<9>}	N[5](C[5]C[5]H)(C[5]N[5]W)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|W<9>}	106.8227	0.307	4	106.8227	0.094	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.3397	0.228	12	107.3397	0.052	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.2840	0.352	4	107.2896	0.083	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Fe<10>,1|H<1>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<4>}	107.2952	0.266	4	107.2896	0.083	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.4820	0.331	14	107.4820	0.110	14	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CC[6a]HH){1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	106.8010	0.010	2	106.8010	0.000	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	108.5583	1.119	4	108.5583	1.251	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.5130	0.000	1	107.5130	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>,2|N<2>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.4690	0.000	1	107.4690	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.2200	0.000	1	107.2200	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.1821	0.784	8	107.1821	0.615	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.7486	0.499	7	107.7486	0.249	7	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|N<2>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]N)(H){1|C<3>,1|C<4>}	107.5295	0.062	2	107.5295	0.004	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.1710	0.392	2	107.1710	0.153	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CPdCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CPdCH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	107.0280	0.742	7	107.0280	0.550	7	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ga<4>,1|C<4>}	N[5](C[5]Ga[4]N[5])(C[5]C[5]H)(CCCH){1|C<4>,2|H<1>,2|P<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ga<4>,1|C<4>}	107.0380	0.159	4	107.0380	0.025	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	107.3806	0.157	5	107.3806	0.025	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	106.9993	0.128	4	106.9993	0.016	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<5>,1|B<4>}	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Al<5>,1|C<4>}	105.9390	0.086	2	105.9390	0.007	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	106.5460	0.000	1	106.5460	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<3>,1|C<4>}	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<3>,1|C<4>}	106.9243	0.759	4	106.8618	0.376	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	N[5](C[5]N[5]Al)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	106.7370	0.327	2	106.8618	0.376	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|As<2>,1|C<4>}	N[5](C[5]N[5]As)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|As<2>,1|C<4>}	107.3055	0.357	2	107.3055	0.128	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Be)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Be<3>,1|C<4>}	N[5](C[5]N[5]Be)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Be<3>,1|C<4>}	106.6760	0.150	2	106.6760	0.022	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Br)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Br<1>,1|C<4>}	N[5](C[5]N[5]Br)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Br<1>,1|C<4>}	107.5053	0.361	8	107.5053	0.130	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ca)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ca<5>,1|B<4>}	N[5](C[5]N[5]Ca)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ca<5>,1|C<4>}	106.2963	0.075	3	106.2963	0.006	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ce<10>,1|C<4>}	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ce<10>,1|C<4>}	106.3305	0.045	2	106.3305	0.002	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ce<10>,1|C<4>}	N[5](C[5]N[5]Ce)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ce<10>,1|C<4>}	107.0480	0.221	2	107.0480	0.049	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<3>,1|C<4>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<3>,1|C<4>}	107.2148	0.462	4	107.1927	0.082	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	107.1498	0.166	6	107.1927	0.082	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<5>,1|C<4>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<5>,1|C<4>}	107.3620	0.000	1	107.1927	0.082	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	106.7075	0.224	8	106.9431	0.186	54	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<7>,1|C<4>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<7>,1|C<4>}	106.9119	0.256	22	106.9431	0.186	54	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<8>,1|C<4>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<8>,1|C<4>}	107.0775	0.439	22	106.9431	0.186	54	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<9>,1|C<4>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<9>,1|C<4>}	106.7520	1.775	2	106.9431	0.186	54	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	106.7296	0.279	18	106.7521	0.081	20	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<8>,1|C<4>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<8>,1|C<4>}	106.9545	0.356	2	106.7521	0.081	20	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<4>,1|P<3>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CC3){1|H<1>,1|P<3>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Cr<4>,1|C<4>}	106.2510	0.000	1	106.2510	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<7>,1|C<4>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<7>,1|C<4>}	106.6030	0.279	2	106.6030	0.078	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<6>,1|C<3>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<6>,1|C<4>}	107.9670	0.000	1	107.3870	0.673	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<4>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<4>}	106.8070	0.000	1	107.3870	0.673	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<4>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<4>}	106.5110	0.000	1	106.5110	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<6>,1|C<4>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<6>,1|C<4>}	106.8325	0.327	4	106.8617	0.096	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<4>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<4>}	106.8784	0.324	7	106.8617	0.096	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|B<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Cu<2>,1|C<4>}	106.7275	0.183	2	106.7275	0.034	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	107.1328	0.906	8	107.1328	0.821	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	106.8287	0.656	16	106.8287	0.430	16	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	106.7950	0.356	10	106.6836	0.249	19	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<3>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	105.7330	0.000	1	106.6836	0.249	19	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	106.4075	0.588	4	106.6836	0.249	19	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	106.9190	0.499	4	106.6836	0.249	19	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	106.4410	0.167	2	106.4410	0.028	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	106.6660	0.270	5	106.5758	0.107	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	106.1250	0.000	1	106.5758	0.107	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	107.6065	1.561	8	107.1909	1.043	25	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	107.0767	0.763	10	107.1909	1.043	25	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	106.8790	0.303	7	107.1909	1.043	25	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|P<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CH3){1|H<1>,1|P<4>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Cu<3>,1|C<4>}	106.8035	0.315	2	106.8035	0.099	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<4>}	106.4404	1.667	8	106.4144	2.208	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	106.7530	0.000	1	106.4144	2.208	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	105.8680	0.000	1	106.4144	2.208	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|B<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<4>,1|C<4>}	106.7581	0.409	27	106.7844	0.166	29	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|B<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<5>,1|C<4>}	107.1405	0.110	2	106.7844	0.166	29	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	107.3200	0.236	4	107.2167	0.067	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<4>}	107.0100	0.204	2	107.2167	0.067	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	107.0211	0.805	11	107.0217	0.502	15	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	107.0235	0.424	4	107.0217	0.502	15	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|B<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<4>,1|C<4>}	106.5913	0.626	4	106.4681	0.290	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|B<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<5>,1|C<4>}	106.3153	0.447	3	106.4681	0.290	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|B<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<6>,1|C<4>}	106.4595	0.630	4	106.4681	0.290	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	107.5025	0.111	2	106.8931	0.209	25	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	107.0346	0.412	12	106.8931	0.209	25	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	106.6187	0.414	9	106.8931	0.209	25	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	106.6700	0.020	2	106.8931	0.209	25	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	106.2205	0.008	2	106.2205	0.000	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	106.7300	0.000	1	106.7346	0.039	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	106.6365	0.172	2	106.7346	0.039	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	106.8350	0.297	2	106.7346	0.039	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	106.5410	0.000	1	106.5410	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	107.0888	0.196	4	107.0193	0.047	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	107.0053	0.308	3	107.0193	0.047	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	107.1125	0.153	2	107.0193	0.047	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	106.8080	0.099	2	107.0193	0.047	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	107.0637	0.860	6	106.9601	0.288	51	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	106.9322	0.435	26	106.9601	0.288	51	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	107.2444	0.456	8	106.9601	0.288	51	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<4>}	106.7628	0.581	11	106.9601	0.288	51	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	105.6986	0.478	8	106.3867	0.257	60	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	106.2822	0.430	18	106.3867	0.257	60	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	106.6039	0.381	34	106.3867	0.257	60	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ga<4>,1|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ga<4>,1|C<4>}	106.7655	0.180	2	106.7655	0.033	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|In<4>,1|C<4>}	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|In<4>,1|C<4>}	107.3170	0.000	1	107.3113	0.002	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|In<5>,1|C<4>}	N[5](C[5]N[5]In)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|In<5>,1|C<4>}	107.3085	0.070	2	107.3113	0.002	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|In<4>,1|C<4>}	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|In<4>,1|C<4>}	106.5290	0.000	1	106.3110	0.078	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|In<5>,1|C<4>}	N[5](C[5]N[5]In)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|In<5>,1|C<4>}	106.2020	0.291	2	106.3110	0.078	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|B<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ir<4>,1|C<4>}	107.2350	0.143	2	107.2350	0.020	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<5>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<5>,1|C<4>}	106.9375	0.507	4	107.1346	0.543	17	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	107.6235	0.285	4	107.1346	0.543	17	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<7>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<7>,1|C<4>}	107.0012	0.957	8	107.1346	0.543	17	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	107.0350	0.000	1	107.1346	0.543	17	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<4>}	106.2490	1.857	2	107.2384	2.200	14	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	106.7383	0.313	3	107.2384	2.200	14	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<7>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<7>,1|C<4>}	107.6859	1.717	8	107.2384	2.200	14	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	107.1380	0.000	1	107.2384	2.200	14	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	107.5975	0.780	2	107.0102	0.703	72	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	107.1387	0.769	39	107.0102	0.703	72	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	107.9070	0.621	2	107.0102	0.703	72	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	106.7561	0.920	22	107.0102	0.703	72	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<9>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<9>,1|C<4>}	106.6684	0.763	7	107.0102	0.703	72	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|H<1>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ir<8>,1|C<4>}	106.7670	0.000	1	106.7670	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	105.9100	0.000	1	105.9100	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	107.1207	0.359	3	107.1207	0.129	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]CH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	107.4245	2.320	2	107.4245	5.382	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<4>}	106.8720	0.093	2	106.8912	0.155	23	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	106.9130	0.436	12	106.8912	0.155	23	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	106.8691	0.433	8	106.8912	0.155	23	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<9>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<9>,1|C<4>}	106.8450	0.000	1	106.8912	0.155	23	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	107.0243	0.626	25	107.1078	0.720	89	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	107.2084	1.014	50	107.1078	0.720	89	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<9>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<9>,1|C<4>}	106.8974	0.424	14	107.1078	0.720	89	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHP)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHP){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	106.3980	0.000	1	106.3980	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	105.8600	0.000	1	106.1885	0.292	22	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	106.2617	0.586	17	106.1885	0.292	22	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	105.9595	0.271	4	106.1885	0.292	22	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mg<4>,1|C<4>}	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mg<4>,1|C<4>}	105.7655	0.045	2	105.7655	0.002	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mg<4>,1|C<4>}	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mg<4>,1|C<4>}	107.1820	0.023	2	107.1820	0.001	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6]2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<4>}	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<4>}	106.5530	0.000	1	106.5530	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6a]2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<4>}	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[6a]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<4>}	106.5910	0.000	1	106.5910	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	107.5083	0.596	3	107.5083	0.356	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<3>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Mo<9>,1|C<4>,1|N<3>,1|S<2>}	107.9340	0.000	1	107.9340	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<10>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<10>,1|C<4>}	106.3890	0.000	1	106.4553	0.197	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	106.1875	0.286	2	106.4553	0.197	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<4>}	107.0570	0.000	1	106.4553	0.197	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]CH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<4>}	106.7090	0.000	1	106.7090	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<3>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Mo<9>,1|C<4>,1|N<3>,1|S<2>}	108.1290	0.000	1	108.1290	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	106.3276	0.212	5	106.7146	0.144	13	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<8>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<8>,1|C<4>}	107.1350	0.126	2	106.7146	0.144	13	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<4>}	106.8970	0.212	6	106.7146	0.144	13	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<3>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Mo<9>,1|C<4>,1|N<3>,1|S<2>}	107.5410	0.000	1	107.5410	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<10>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<10>,1|C<4>}	107.0790	0.000	1	107.0042	0.107	9	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	107.0755	0.301	4	107.0042	0.107	9	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<9>,1|C<4>}	106.9142	0.418	4	107.0042	0.107	9	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|B<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ni<4>,1|C<4>}	106.8403	0.135	3	106.8403	0.018	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<3>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<3>,1|C<4>}	107.1110	0.000	1	107.2788	0.085	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	107.3034	0.294	5	107.2788	0.085	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<4>}	107.3010	0.468	2	107.2788	0.085	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	106.9221	0.393	95	106.9222	0.147	103	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<4>}	106.6700	0.105	2	106.9222	0.147	103	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	107.0070	0.253	6	106.9222	0.147	103	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<3>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<3>,1|C<4>}	106.7990	0.000	1	106.6948	0.339	34	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	106.6674	0.645	27	106.6948	0.339	34	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	106.8005	0.229	6	106.6948	0.339	34	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	107.0655	1.226	4	106.9617	0.934	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<4>}	106.7540	0.178	2	106.9617	0.934	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|C<4>}	106.5230	0.564	2	106.5230	0.318	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	106.4372	0.564	5	106.4372	0.318	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	107.2937	0.482	14	107.2955	0.216	15	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	107.3210	0.000	1	107.2955	0.216	15	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|B<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ni<4>,1|C<4>}	106.4880	0.051	2	106.4880	0.003	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<3>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<3>,1|C<4>}	107.0682	0.244	6	107.0367	0.275	36	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	107.0849	0.599	25	107.0367	0.275	36	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<4>}	106.7578	0.251	5	107.0367	0.275	36	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|H<1>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Ni<4>,1|C<4>}	106.9295	0.364	2	106.9295	0.133	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	106.1270	0.512	14	106.1448	0.229	16	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<4>}	106.2690	0.018	2	106.1448	0.229	16	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<7>,1|C<4>}	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<7>,1|C<4>}	107.2710	0.000	1	107.2710	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<6>,1|C<4>}	N[5](C[5]N[5]Os)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<6>,1|C<4>}	107.2540	0.157	2	107.2540	0.025	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<5>,1|C<4>}	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<5>,1|C<4>}	107.0465	0.617	2	106.3477	0.565	7	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<6>,1|C<4>}	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<6>,1|C<4>}	106.0940	0.736	4	106.3477	0.565	7	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<7>,1|C<4>}	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<7>,1|C<4>}	105.9650	0.000	1	106.3477	0.565	7	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<6>,1|C<4>}	N[5](C[5]N[5]Os)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<6>,1|C<4>}	106.2235	1.220	2	106.2235	1.488	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<2>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<2>,1|C<4>}	107.1305	0.237	4	107.5386	0.222	30	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	107.6155	0.485	24	107.5386	0.222	30	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<4>}	107.4310	0.185	2	107.5386	0.222	30	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<2>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<2>,1|C<4>}	106.6520	0.539	2	106.9661	0.189	15	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	106.8678	0.247	8	106.9661	0.189	15	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<4>}	107.2450	0.648	4	106.9661	0.189	15	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<6>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<6>,1|C<4>}	107.2660	0.000	1	106.9661	0.189	15	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|B<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Pd<4>,1|C<4>}	106.2095	0.415	2	106.2095	0.172	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	106.9230	0.671	135	106.9206	0.447	136	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<6>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<6>,1|C<4>}	106.5850	0.000	1	106.9206	0.447	136	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	106.3867	0.311	9	106.3867	0.097	9	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	106.1591	1.166	7	106.1591	1.359	7	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	107.0221	0.373	10	107.0221	0.139	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	106.9167	0.554	82	106.9029	0.308	84	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<4>}	106.3370	0.154	2	106.9029	0.308	84	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	107.6524	0.677	8	107.6524	0.458	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	108.1530	0.000	1	107.2350	0.572	106	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	107.2262	0.754	105	107.2350	0.572	106	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	106.5370	0.141	2	106.5370	0.020	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	106.1507	0.641	55	106.1507	0.410	55	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<3>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<3>,1|C<4>}	107.7600	0.143	4	107.6026	0.048	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	107.4453	0.163	4	107.6026	0.048	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	106.9401	0.619	29	106.9401	0.384	29	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	107.0914	0.804	27	107.0914	0.646	27	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	107.0330	0.574	25	107.1097	0.374	28	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<4>}	107.7497	0.634	3	107.1097	0.374	28	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	107.1485	0.721	43	107.1290	0.481	56	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<5>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<5>,1|C<4>}	106.7198	0.524	4	107.1290	0.481	56	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<4>}	107.2178	0.616	9	107.1290	0.481	56	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<4>}	106.1811	0.683	17	106.2630	0.512	21	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<4>}	106.6112	0.849	4	106.2630	0.512	21	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	106.6566	0.539	9	106.6566	0.290	9	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	107.1767	0.407	16	107.1767	0.166	16	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|H<1>}	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Re<6>,1|C<4>}	107.1380	0.000	1	107.1380	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	N[5](C[5]N[5]Re)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	106.3705	0.534	2	106.3705	0.285	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|B<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Rh<4>,1|C<4>}	107.1005	0.276	4	107.1410	0.066	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|B<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Rh<6>,1|C<4>}	107.3030	0.000	1	107.1410	0.066	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	108.5990	0.000	1	107.3122	0.393	21	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	107.7215	0.210	2	107.3122	0.393	21	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<5>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<5>,1|C<4>}	106.8655	0.970	4	107.3122	0.393	21	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	107.3667	0.330	10	107.3122	0.393	21	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	107.0962	0.578	4	107.3122	0.393	21	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	106.8045	0.527	11	106.8045	0.278	11	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	106.7902	0.408	10	106.9587	0.206	46	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	106.9194	0.400	29	106.9587	0.206	46	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	107.4087	0.590	6	106.9587	0.206	46	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	107.0830	0.000	1	106.9587	0.206	46	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	107.0430	0.000	1	106.8063	0.199	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	106.9210	0.000	1	106.8063	0.199	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	106.7185	0.545	4	106.8063	0.199	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]CC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	107.2550	0.000	1	107.2550	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	106.7617	0.400	6	106.9335	0.166	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	107.1912	0.293	4	106.9335	0.166	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	108.0525	0.477	2	107.0646	0.250	49	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	106.9229	0.229	8	107.0646	0.250	49	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	106.8639	0.360	29	107.0646	0.250	49	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	107.5993	0.896	3	107.0646	0.250	49	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	107.8360	0.000	1	107.0646	0.250	49	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	107.4982	0.246	6	107.0646	0.250	49	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	106.1210	0.679	2	106.2836	0.331	20	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	106.1598	0.518	10	106.2836	0.331	20	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<4>}	106.4789	0.645	8	106.2836	0.331	20	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	106.8085	0.158	2	106.8085	0.025	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	106.7555	1.231	2	106.9050	0.424	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<4>}	107.0700	0.281	2	106.9050	0.424	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	106.8740	0.000	1	106.9050	0.424	5	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	106.8340	0.214	2	107.2421	0.208	7	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<4>}	107.7170	0.000	1	107.2421	0.208	7	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	107.3275	0.453	4	107.2421	0.208	7	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	107.1981	0.501	9	106.9647	0.530	79	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	108.0375	0.063	2	106.9647	0.530	79	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	106.8547	0.830	11	106.9647	0.530	79	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	106.8423	0.493	21	106.9647	0.530	79	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<8>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<8>,1|C<4>}	107.4680	0.000	1	106.9647	0.530	79	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	106.9369	0.841	35	106.9647	0.530	79	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	106.7445	0.438	2	106.7445	0.192	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	106.3200	0.509	7	106.3226	0.182	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<4>}	106.0960	0.000	1	106.3226	0.182	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	106.4450	0.017	2	106.3226	0.182	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	107.2840	0.661	4	107.2840	0.436	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	106.7592	0.435	4	106.9038	0.800	18	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	106.9230	0.521	3	106.9038	0.800	18	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	106.9511	1.113	11	106.9038	0.800	18	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Ru<6>,1|C<4>,2|N<3>}	108.1780	0.000	1	108.1780	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<10>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<10>,1|C<4>}	106.8315	0.032	2	107.1357	0.491	55	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	106.8887	0.676	7	107.1357	0.491	55	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	106.8560	0.788	8	107.1357	0.491	55	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	107.1841	0.649	16	107.1357	0.491	55	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<8>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<8>,1|C<4>}	106.9052	0.635	5	107.1357	0.491	55	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	107.4270	0.729	17	107.1357	0.491	55	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|P<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|H<1>,1|P<4>}	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Ru<6>,1|C<4>}	107.4925	0.077	2	107.4925	0.006	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	106.5872	0.472	4	106.4395	0.242	13	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	106.3738	0.513	9	106.4395	0.242	13	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<4>}	107.1620	0.000	1	107.1620	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CRu2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CRu2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<4>,1|C<4>}	106.4865	1.228	2	106.6670	0.852	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CRu2H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CRu2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	107.0280	0.000	1	106.6670	0.852	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Se<1>,1|C<4>,2|N<2>}	108.7060	0.000	1	108.7060	0.000	1	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	107.7160	0.000	1	107.3676	0.353	18	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	107.2220	0.324	4	107.3676	0.353	18	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	107.3856	0.675	13	107.3676	0.353	18	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	107.2777	0.680	6	107.1477	0.238	14	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	107.0503	0.294	8	107.1477	0.238	14	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	107.6035	1.067	2	107.3736	0.213	9	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	107.3079	0.267	7	107.3736	0.213	9	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|B<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Se<2>,1|C<4>}	106.8143	0.293	6	106.8143	0.086	6	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<4>}	107.4268	0.430	12	107.3324	0.427	82	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<2>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<2>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	107.9270	0.236	2	107.3324	0.427	82	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	107.2879	0.678	64	107.3324	0.427	82	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<3>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<3>,1|C<4>}	107.4647	0.914	4	107.3324	0.427	82	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Se<1>,1|C<4>}	106.9945	0.107	2	107.1365	0.808	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|H<1>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Se<2>,1|C<4>}	107.1838	1.058	6	107.1365	0.808	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<4>}	107.3219	1.311	8	107.2114	1.393	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<3>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<3>,1|C<4>}	106.7695	0.122	2	107.2114	1.393	10	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Sr)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Sr<7>,1|B<4>}	N[5](C[5]N[5]Sr)(C[5]C[5]H)(CC3){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Sr<7>,1|C<4>}	106.6347	0.282	3	106.6347	0.079	3	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ta)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ta<7>,1|C<4>}	N[5](C[5]N[5]Ta)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ta<7>,1|C<4>}	106.3250	0.233	2	106.3250	0.054	2	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Tc)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Tc<6>,1|C<4>}	N[5](C[5]N[5]Tc)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Tc<6>,1|C<4>}	107.0011	0.363	7	107.0011	0.131	7	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Tc)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Tc<6>,1|C<4>}	N[5](C[5]N[5]Tc)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Tc<6>,1|C<4>}	106.0215	0.145	4	106.0215	0.021	4	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Th)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Th<8>,1|B<4>}	N[5](C[5]N[5]Th)(C[5]C[5]H)(CN[5]HH){1|B<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Th<8>,1|C<4>}	105.5473	0.138	8	105.5473	0.019	8	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ti<5>,1|C<4>}	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ti<5>,1|C<4>}	106.4177	0.539	12	106.4177	0.290	12	107.1322	0.891	5196	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:I-1:	C[5](C[5]N[5]I)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(I)	C[5](C[5]N[5]I)(N[5]C[5]C)(H){1|C<4>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<4>,1|I<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(I){1|C<4>,1|P<3>}	105.3430	0.000	1	105.3430	0.000	1	107.0640	5.924	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:I-1:	C[5](C[5]N[5]I)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(I)	C[5](C[5]N[5]I)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|I<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(I){1|C<4>,1|S<2>}	108.7850	0.000	1	108.7850	0.000	1	107.0640	5.924	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<3>,1|B<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|B<3>,1|H<1>,1|I<1>,2|C<4>}	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H){1|B<4>,3|C<4>}	106.9070	0.000	1	107.9930	1.351	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|B<3>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|B<3>,1|H<1>,2|C<4>}	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H){1|B<3>,3|C<4>}	108.5360	0.966	2	107.9930	1.351	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<3>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|C<4>,2|C<3>}	107.4580	0.000	1	107.4580	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|C<4>,2|C<3>}	106.8078	0.111	5	106.8078	0.012	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	107.7655	0.620	2	107.7655	0.385	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	107.0087	0.374	4	107.0290	0.107	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	107.1100	0.000	1	107.0290	0.107	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.3222	0.370	4	106.3222	0.137	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){2|C<4>}	106.1580	0.000	1	106.1580	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.0249	0.601	13	107.0249	0.361	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Ni<6>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.8293	0.240	3	106.8293	0.057	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	107.5800	0.000	1	107.2455	0.224	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	106.9110	0.000	1	107.2455	0.224	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Cd<4>,1|H<1>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H){2|C<4>}	106.4870	0.466	3	106.4870	0.218	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Co<4>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){2|C<4>}	106.8493	0.528	3	106.7914	0.187	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){2|C<4>}	106.7045	0.408	2	106.7914	0.187	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Cu<3>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){2|C<4>}	105.9550	0.000	1	106.5409	0.046	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Cu<4>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){2|C<4>}	106.5942	0.116	11	106.5409	0.046	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CC[6a]HH){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){2|C<4>}	107.0560	0.000	1	107.0560	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Al)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Al<4>,1|H<1>}	C[5](N[5]C[5]Al)(C[5]N[5]H)(H){2|C<4>}	106.9980	0.000	1	106.9980	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	107.3060	0.000	1	107.3060	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<4>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){2|C<4>}	107.1215	0.255	4	107.1846	0.232	14	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<5>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<5>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){2|C<4>}	106.4455	0.233	2	107.1846	0.232	14	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.4009	0.428	8	107.1846	0.232	14	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Cr)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<5>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cr<5>,1|H<1>}	C[5](N[5]C[5]Cr)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.3010	0.000	1	106.6577	0.098	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Cr)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<6>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cr<6>,1|H<1>}	C[5](N[5]C[5]Cr)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.8360	0.072	2	106.6577	0.098	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<3>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){2|C<4>}	106.5735	0.456	8	106.6483	0.280	22	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){2|C<4>}	106.8980	0.640	5	106.6483	0.280	22	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.1480	0.000	1	106.6483	0.280	22	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){2|C<4>}	106.6295	0.557	8	106.6483	0.280	22	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<4>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){2|C<4>}	106.7625	0.319	4	106.6539	0.946	66	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<5>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){2|C<4>}	106.6908	0.219	9	106.6539	0.946	66	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.0371	0.453	19	106.6539	0.946	66	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){2|C<4>}	106.3397	1.524	23	106.6539	0.946	66	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<7>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.4207	0.083	3	106.6539	0.946	66	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Fe<8>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.6385	0.322	8	106.6539	0.946	66	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<6>,1|H<1>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){2|C<4>}	107.0230	0.000	1	107.1100	0.039	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|H<1>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.1334	0.237	5	107.1100	0.039	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ir<8>,1|H<1>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){2|C<4>}	107.0800	0.000	1	107.1100	0.039	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Li)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Li<7>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Li<7>,1|H<1>}	C[5](N[5]C[5]Li)(C[5]N[5]H)(H){2|C<4>}	106.2750	0.000	1	106.2750	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){2|C<4>}	106.2266	1.045	10	106.3476	0.890	14	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<8>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mn<8>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.6500	0.642	4	106.3476	0.890	14	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mo<6>,1|H<1>}	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H){2|C<4>}	107.1210	0.496	2	105.0703	10.299	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<8>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Mo<8>,1|H<1>}	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H){2|C<4>}	103.0195	3.719	2	105.0703	10.299	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<4>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.8814	0.245	7	106.9110	0.117	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<4>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){2|C<4>}	107.4235	0.350	2	106.9110	0.117	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.5220	0.000	1	106.9110	0.117	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){2|C<4>}	106.6965	0.186	2	106.9110	0.117	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Pd<4>,1|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){2|C<4>}	107.6220	0.684	2	107.6220	0.469	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Pt<4>,1|H<1>}	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.5055	1.191	2	107.5055	1.420	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Re<6>,1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.6550	1.099	3	107.3023	0.759	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Re<6>,1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){2|C<4>}	106.9497	0.563	3	107.3023	0.759	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<4>,1|H<1>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){2|C<4>}	106.4520	0.317	2	106.4233	0.053	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Rh<6>,1|H<1>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){2|C<4>}	106.3660	0.000	1	106.4233	0.053	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ru<5>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){2|C<4>}	106.6870	0.000	2	106.4700	0.141	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Ru<6>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){2|C<4>}	106.0360	0.000	1	106.4700	0.141	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Sn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Sn<5>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Sn<5>,1|H<1>}	C[5](N[5]C[5]Sn)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.2850	0.000	1	107.2850	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.3810	0.385	2	107.0319	0.294	18	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){2|C<4>}	107.0425	0.553	13	107.0319	0.294	18	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<5>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<5>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){2|C<4>}	106.7210	0.840	2	107.0319	0.294	18	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Zn<6>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){2|C<4>}	106.8180	0.000	1	107.0319	0.294	18	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	107.2990	0.000	1	107.2990	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH){1|Co<4>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){2|C<4>}	106.5335	0.272	2	106.5335	0.074	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CN[5a]HH){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){2|C<4>}	106.3585	0.063	2	106.3585	0.004	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Co<4>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6985	0.255	4	106.6985	0.065	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Fe<4>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3810	0.000	1	106.3810	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5]Sr)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Sr<7>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Sr<7>,1|H<1>}	C[5](N[5]C[5]Sr)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3590	0.000	1	106.3590	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<3>,1|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	108.2570	0.000	1	108.2570	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	107.3740	0.047	2	107.3740	0.002	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.4277	0.325	6	107.4277	0.105	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|B<4>,1|H<1>}	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	107.5650	0.150	2	107.5650	0.022	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|H<1>,4|C<4>}	106.8995	0.168	2	106.8995	0.028	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.2020	0.000	1	107.5260	0.079	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|N<2>}	107.6880	0.000	2	107.5260	0.079	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<4>,1|H<1>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6727	0.293	3	106.6095	0.090	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cd<6>,1|H<1>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.5824	0.322	7	106.6095	0.090	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.0703	0.187	3	106.2099	0.094	16	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.2422	0.325	13	106.2099	0.094	16	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<3>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.4560	0.000	1	106.1692	0.363	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<4>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6757	0.299	6	106.1692	0.363	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	105.6150	0.297	6	106.1692	0.363	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Fe<6>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6497	0.245	8	106.6497	0.060	8	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Hg)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Hg<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Hg<4>,1|H<1>}	C[5](N[5]C[5]Hg)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.0690	0.000	1	106.0690	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Mg)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mg<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mg<6>,1|H<1>}	C[5](N[5]C[5]Mg)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.1203	0.176	3	106.1203	0.031	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.9785	0.359	2	106.9785	0.129	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mo<6>,1|H<1>}	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.1490	0.000	1	106.1490	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ni<6>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.0323	0.995	6	106.0323	0.989	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Pd<4>,1|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	107.0120	0.000	1	107.0120	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Pt<6>,1|H<1>}	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3890	1.050	6	106.3890	1.103	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Re<6>,1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3050	0.194	2	106.3050	0.038	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<6>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.4829	0.236	8	106.6182	0.126	16	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.7535	0.416	8	106.6182	0.126	16	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.4781	0.287	9	106.5568	0.266	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<5>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	108.0450	0.000	1	106.5568	0.266	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Zn<6>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.2967	0.180	3	106.5568	0.266	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	107.2065	0.630	4	107.3833	0.209	44	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.4003	0.462	36	107.3833	0.209	44	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|N<2>}	107.4065	0.241	4	107.3833	0.209	44	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.3570	0.000	1	107.3570	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Cd<6>,1|H<1>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.4140	0.000	1	106.4140	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3820	0.000	1	106.3820	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6490	0.000	1	106.6490	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Ni<6>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.2350	0.000	1	106.2350	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.2570	0.000	1	106.2570	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[5a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.1630	0.000	1	107.1630	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<7>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6]HH){1|Pd<7>,1|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	105.9860	0.000	1	105.9860	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|Fe<6>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6095	0.118	2	106.6095	0.014	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	107.0010	0.000	1	107.0010	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|Pd<4>,1|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3210	0.000	1	106.3210	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]3){1|Ru<9>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3590	0.000	1	106.3590	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.3770	0.000	1	107.3770	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Ag)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ag<2>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Ag<2>,1|H<1>}	C[5](N[5]C[5]Ag)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6050	0.078	2	106.6050	0.006	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	107.1590	0.000	1	107.1590	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Co<4>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6820	0.386	6	106.7289	0.145	11	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.7852	0.412	5	106.7289	0.145	11	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Cu<4>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.5028	0.323	18	106.5387	0.137	22	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.7000	0.568	4	106.5387	0.137	22	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Hg)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Hg<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Hg<4>,1|H<1>}	C[5](N[5]C[5]Hg)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.1945	0.105	2	106.1945	0.011	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.4620	0.181	3	106.4620	0.033	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Mo<6>,1|H<1>}	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.8970	0.000	1	106.8970	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Pd<4>,1|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.5550	0.202	2	106.5550	0.041	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.4710	0.000	1	106.4710	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Ru<9>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3265	0.180	2	106.3265	0.033	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3268	1.104	9	106.3268	1.219	9	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	107.6871	1.334	72	107.6361	1.411	95	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.4765	0.500	23	107.6361	1.411	95	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HP)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HP){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	107.5100	0.000	1	107.5100	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]B[3,3,5,4x6]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<5>,1|H<1>}	C[5](N[5]B[3,3,5,4x6]C[5])(C[5]N[5]H)(H){1|C<4>,2|H<1>,3|B<6>}	106.3660	0.556	2	106.3660	0.309	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	106.5168	0.466	4	106.5168	0.217	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<3>,3|C<4>}	106.8234	0.549	7	106.8234	0.302	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]B[6]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,1|H<1>}	C[5](N[5]B[6]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	106.6375	0.178	4	106.6375	0.032	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Al)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Al<4>,1|H<1>}	C[5](N[5]C[5]Al)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.5340	0.000	1	106.5340	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cd<4>,1|H<1>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.1283	1.463	4	106.0987	1.337	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cd<6>,1|H<1>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.0395	0.507	2	106.0987	1.337	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Co<5>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	107.2090	0.000	1	106.2792	0.403	17	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.2211	0.607	16	106.2792	0.403	17	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<3>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6725	0.199	4	106.4399	0.095	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<4>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	105.9620	0.000	1	106.4399	0.095	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.1825	0.226	2	106.4399	0.095	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Cu<6>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.4607	0.232	3	106.4399	0.095	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<4>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.1460	0.308	2	106.2671	0.269	46	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<5>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3305	0.323	2	106.2671	0.269	46	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<6>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.2144	0.534	38	106.2671	0.269	46	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Fe<8>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.7965	0.173	4	106.2671	0.269	46	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ir<6>,1|H<1>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.9615	0.506	4	106.9190	0.201	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ir<8>,1|H<1>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.7490	0.000	1	106.9190	0.201	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.1755	0.195	11	106.1755	0.038	11	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mo<6>,1|H<1>}	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3790	0.259	2	106.4172	0.048	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<7>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mo<7>,1|H<1>}	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.3095	0.121	2	106.4172	0.048	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<8>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Mo<8>,1|H<1>}	C[5](N[5]C[5]Mo)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.7090	0.000	1	106.4172	0.048	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ni<6>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	105.9536	1.094	9	105.9536	1.197	9	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Pd<4>,1|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	107.1195	0.652	4	107.1195	0.425	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Pt<4>,1|H<1>}	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.4685	1.210	6	106.4685	1.463	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Re<6>,1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6183	0.974	34	106.6096	0.852	42	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<7>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Re<7>,1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.5726	0.718	8	106.6096	0.852	42	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Rh<4>,1|H<1>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.4925	0.459	2	106.5212	0.081	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Rh<8>,1|H<1>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.5403	0.234	3	106.5212	0.081	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ru<9>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.4436	0.226	9	106.4436	0.051	9	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<6>,1|H<1>}	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6358	0.261	4	106.6358	0.068	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Sm)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Sm<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Sm<6>,1|H<1>}	C[5](N[5]C[5]Sm)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.0390	0.000	1	106.0390	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Ti)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ti<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Ti<6>,1|H<1>}	C[5](N[5]C[5]Ti)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.7640	0.000	1	106.7640	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.5369	0.671	15	106.5137	0.429	16	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Zn<5>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.1660	0.000	1	106.5137	0.429	16	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.4260	0.000	1	107.4260	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	107.5060	0.334	4	107.4937	0.528	42	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.4924	0.759	38	107.4937	0.528	42	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]Si[5,6]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<6>,1|H<1>}	C[5](N[5]Si[5,6]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<2>}	106.4320	0.000	1	106.4320	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](N[5]Si[6]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|Si<4>,1|H<1>}	C[5](N[5]Si[6]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<3>,3|C<4>}	107.2475	1.589	2	107.2475	2.525	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHI)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHI){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.8330	0.000	1	106.8330	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHS)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CHHS){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.3355	0.508	2	107.3355	0.258	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|Co<4>,1|H<1>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6420	0.267	2	106.6420	0.071	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.2990	0.220	3	106.2990	0.049	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	107.2240	0.000	1	107.2240	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.6740	0.351	8	106.6740	0.123	8	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C[5](N[5]C[5]Hg)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Hg<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Hg<4>,1|H<1>}	C[5](N[5]C[5]Hg)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.6005	0.289	2	106.6005	0.084	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.7010	0.000	1	106.7010	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	106.5660	0.508	2	106.5660	0.258	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CN[5a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.9810	0.000	1	106.9810	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]I)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|I<1>}	N[5](C[5]C[5]H)(C[5]N[5]I)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|I<1>,2|C<3>}	107.6340	0.164	2	107.6340	0.027	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|N<3>,2|C<3>}	107.6485	0.668	2	107.6485	0.447	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cd<5>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CH3){1|Cd<5>,1|H<1>}	C[5](N[5]C[5]Cd)(C[5]N[5]H)(H){1|C<4>,1|N<2>}	107.1190	0.000	1	107.1190	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|O<2>}	N[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	109.7000	0.000	1	109.7000	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|Fe<6>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(H){1|C<4>,1|P<3>}	106.8743	0.036	3	106.8743	0.001	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|P<3>,2|C<3>}	107.9660	0.716	2	107.7994	1.671	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|P<4>,2|C<3>}	107.7328	1.536	5	107.7994	1.671	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<2>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|P<2>,2|C<3>}	106.2910	0.000	1	107.0650	1.198	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|P<3>,2|C<3>}	107.8390	0.000	1	107.0650	1.198	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|Cu<3>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|S<2>}	107.2880	0.318	2	107.2880	0.101	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<4>,1|S<2>}	107.3235	0.309	2	107.3235	0.095	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|C<3>,1|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|S<1>}	107.3920	0.000	1	107.3920	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|S<1>}	107.8220	0.000	1	107.8220	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<1>}	107.7310	0.105	2	107.8107	0.025	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	107.9700	0.000	1	107.8107	0.025	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|S<2>,2|C<3>}	107.4900	0.246	2	107.4900	0.061	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|S<1>,2|N<3>}	107.0535	0.176	2	107.1335	0.027	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|S<2>,2|N<3>}	107.2135	0.152	2	107.1335	0.027	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|B<4>,1|H<1>}	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H){1|N<3>,1|S<2>,3|C<4>}	106.8680	0.000	1	106.8680	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Cu<3>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<4>,1|S<2>}	106.7212	0.437	5	106.7212	0.191	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<4>,1|S<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Mn<4>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<4>,1|S<3>}	108.6230	0.000	1	107.4420	2.790	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|S<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Mn<6>,1|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]H)(H){1|C<4>,1|S<3>}	106.2610	0.000	1	107.4420	2.790	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Pd<4>,1|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<4>,1|S<2>}	106.3751	0.646	7	106.3751	0.418	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Re<6>,1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<4>,1|S<2>}	106.5123	0.152	3	106.6378	0.042	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|S<3>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Re<6>,1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<4>,1|S<3>}	106.7760	0.000	1	106.6378	0.042	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<7>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Re<7>,1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<4>,1|S<2>}	106.8760	0.000	1	106.6378	0.042	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Rh<4>,1|H<1>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){1|C<4>,1|S<2>}	106.6395	0.318	4	106.6395	0.101	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Si<4>,1|H<1>}	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){1|C<4>,1|S<1>}	107.4729	0.147	11	107.4729	0.022	11	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|Zn<4>,1|H<1>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<4>,1|S<2>}	106.5738	0.528	25	106.5738	0.279	25	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|S<1>}	107.9370	0.000	1	107.9370	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]W)(CC[6a]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>,1|W<6>}	N[5](C[5]C[5]H)(C[5]N[5]W)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|N<3>,1|W<6>}	107.8350	0.000	1	107.8350	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]Co)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Co<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Co)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.2905	0.062	2	106.2905	0.004	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Pd<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.9800	0.000	1	106.9800	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Rh<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.8051	0.263	8	106.8051	0.069	8	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Ir<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.9397	1.019	6	106.9397	1.038	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CC[6a]HH){1|Rh<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.4170	0.018	2	106.4170	0.000	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Cu<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.1355	0.005	2	107.1355	0.000	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.7186	0.565	5	107.7186	0.319	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	108.2177	0.881	3	108.2177	0.777	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Re<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.5872	0.510	4	106.5872	0.260	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Rh<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.7108	0.298	4	106.7108	0.089	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.1384	0.714	8	107.1384	0.510	8	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCCH){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.2305	0.098	2	107.2305	0.010	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<4>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.9670	0.000	1	106.9670	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	108.1200	0.000	1	108.1200	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CC[6a]HH){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.8855	0.842	2	106.8855	0.709	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.0980	0.498	4	107.0980	0.248	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	108.1930	0.000	1	108.1930	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	108.1780	0.000	1	108.1780	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.0062	2.496	4	106.0062	6.229	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<5>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>,2|C<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	106.7590	0.000	1	106.7590	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|H<1>,2|C<3>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.2463	0.292	3	107.2463	0.085	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.7050	0.000	1	107.7050	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>}	C[5](N[5]C[5]Pt)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	107.0705	1.046	2	107.0705	1.094	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Al<4>,1|C<3>}	N[5](C[5]N[5]Al)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Al<4>,1|C<4>,2|C<3>}	106.8003	0.561	3	106.8003	0.315	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<4>,1|C<3>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<4>,1|C<4>,2|C<3>}	106.6909	0.372	17	106.7084	0.176	22	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<6>,1|C<3>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<6>,1|C<4>,2|C<3>}	106.7678	0.605	5	106.7084	0.176	22	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Co<3>,1|C<3>}	N[5](C[5]N[5]Co)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<3>,1|C<4>,2|C<3>}	106.5395	0.023	2	106.5395	0.001	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<4>,1|C<3>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cr<4>,1|C<4>,2|C<3>}	106.2560	0.000	1	105.7432	4.442	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<7>,1|C<3>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cr<7>,1|C<4>,2|C<3>}	106.2170	1.134	2	105.7432	4.442	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cr<8>,1|C<3>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cr<8>,1|C<4>,2|C<3>}	105.2563	3.123	3	105.7432	4.442	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<3>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Cu<3>,1|C<3>,1|C<4>,1|N<3>}	107.7500	1.223	2	107.7500	1.496	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<3>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<2>,1|C<4>,2|C<3>}	106.9350	0.308	2	107.1455	0.129	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|C<3>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<3>,1|C<4>,2|C<3>}	107.3560	0.341	2	107.1455	0.129	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<2>,1|C<3>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<2>,1|C<4>,2|C<3>}	106.5390	0.000	1	106.5390	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Er)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Er<10>,1|C<3>}	N[5](C[5]N[5]Er)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Er<10>,1|C<3>,2|C<4>}	106.7885	0.689	4	106.7885	0.475	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	108.6356	0.182	8	108.6356	0.033	8	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<7>,1|C<4>,2|C<3>}	106.2065	0.112	2	106.2065	0.013	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	108.0310	0.333	3	108.0310	0.111	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<4>,1|C<4>,2|C<3>}	107.0630	0.352	8	106.9803	0.141	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<7>,1|C<4>,2|C<3>}	106.8980	0.000	1	106.9803	0.141	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,1|C<4>,2|C<3>}	106.4010	0.000	1	106.9803	0.141	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<4>,1|C<4>,2|C<3>}	106.2000	0.535	3	106.2022	0.192	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<5>,1|C<4>,2|C<3>}	106.5170	0.000	1	106.2022	0.192	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,1|C<4>,2|C<3>}	105.8940	0.000	1	106.2022	0.192	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,1|C<4>,2|C<3>}	107.3060	0.000	1	107.3060	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<5>,1|C<4>,2|C<3>}	106.8960	0.000	1	106.8935	0.271	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<7>,1|C<4>,2|C<3>}	106.8927	0.637	3	106.8935	0.271	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>}	107.7440	0.000	1	107.3190	0.361	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<8>,1|C<4>,2|C<3>}	106.8940	0.000	1	107.3190	0.361	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<4>,1|C<4>,2|C<3>}	106.9585	0.298	4	107.0882	0.073	9	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<5>,1|C<4>,2|C<3>}	107.2407	0.119	3	107.0882	0.073	9	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<7>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<7>,1|C<4>,2|C<3>}	107.1190	0.390	2	107.0882	0.073	9	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CHHN)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CHHN){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<5>,1|C<4>,2|C<3>}	106.0813	0.287	3	106.0813	0.082	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	107.5910	0.596	5	107.5910	0.355	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<4>,1|C<4>,2|C<3>}	106.6465	0.302	2	106.3454	0.203	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<6>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<2>}	107.0130	0.000	1	106.3454	0.203	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<8>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,1|C<4>,2|C<3>}	106.2241	0.459	7	106.3454	0.203	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<9>,1|C<3>}	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<9>,1|C<4>,2|C<3>}	106.1350	0.239	2	106.3454	0.203	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ho)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ho<14>,1|C<3>}	N[5](C[5]N[5]Ho)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ho<14>,1|C<4>,2|C<3>}	107.5710	0.000	1	107.5710	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	106.9275	1.312	4	107.7123	2.755	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	108.7587	1.676	3	107.7123	2.755	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	107.8710	0.000	1	108.0740	0.070	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	108.3730	0.000	1	108.0740	0.070	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,1|N<2>,1|N<3>}	107.9780	0.000	1	108.0740	0.070	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	108.1535	1.227	11	108.1335	1.374	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	107.9140	0.000	1	108.1335	1.374	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<4>,1|C<4>,2|C<3>}	106.7010	0.502	2	106.4323	0.343	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	105.8950	0.000	1	106.4323	0.343	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<4>,1|C<4>,2|C<3>}	106.3940	0.000	1	106.9843	0.308	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	107.0640	0.000	1	106.9843	0.308	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	107.4950	0.000	1	106.9843	0.308	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<5>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<5>,1|C<4>,2|C<3>}	106.4110	0.621	2	106.8430	0.275	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	106.8920	0.220	3	106.8430	0.275	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	107.5600	0.000	1	106.8430	0.275	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	106.2510	2.517	2	107.7137	1.745	9	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|C<2>,1|C<3>,1|C<4>}	109.1920	0.000	1	107.7137	1.745	9	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|C<3>,1|C<4>,1|N<3>}	107.8340	0.261	4	107.7137	1.745	9	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|H<1>,1|O<2>,2|C<4>}	108.1965	0.655	2	107.7137	1.745	9	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<4>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<4>,1|C<4>,2|C<3>}	107.7550	1.558	2	107.8969	1.473	23	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	107.9529	1.400	16	107.8969	1.473	23	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<3>,1|C<4>,1|N<2>}	107.4470	0.000	1	107.8969	1.473	23	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	107.8563	0.290	4	107.8969	1.473	23	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHS)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	106.6310	0.000	1	106.6310	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<6>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	106.0340	0.000	1	106.4233	0.303	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	106.6180	0.615	2	106.4233	0.303	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Li)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Li<4>,1|C<3>}	N[5](C[5]N[5]Li)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Li<4>,1|C<4>,2|C<3>}	106.2685	0.490	2	106.2685	0.240	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Lu)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Lu<6>,1|C<3>}	N[5](C[5]N[5]Lu)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Lu<6>,1|C<4>,2|C<3>}	106.6825	0.170	2	106.6825	0.029	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Mg)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|Mg<4>}	N[5](C[5]N[5]Mg)(C[5]C[5]H)(CH3){1|Mg<4>,1|H<1>}	C[5](N[5]C[5]Mg)(C[5]N[5]H)(H){1|Mg<4>,1|C<4>}	105.5970	0.000	1	105.5970	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<3>}	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Mn<6>,1|C<3>,1|C<4>,1|N<3>}	107.5377	0.252	3	107.5377	0.064	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<4>,1|C<3>}	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<4>,1|C<4>,2|C<3>}	106.8792	0.431	5	106.6912	0.171	16	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<5>,1|C<3>}	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<5>,1|C<4>,2|C<3>}	106.6040	0.000	1	106.6912	0.171	16	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<6>,1|C<3>}	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<6>,1|C<4>,2|C<3>}	106.6110	0.441	9	106.6912	0.171	16	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<9>,1|C<3>}	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<9>,1|C<4>,2|C<3>}	106.5600	0.000	1	106.6912	0.171	16	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<8>,1|C<3>}	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<8>,1|C<4>,2|C<3>}	106.3615	0.241	2	106.3615	0.058	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mn<5>,1|C<3>}	N[5](C[5]N[5]Mn)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<5>,1|C<4>,2|C<3>}	108.3740	0.892	2	108.3740	0.796	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Mo<6>,1|C<3>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mo<6>,1|C<4>,2|C<3>}	106.3680	0.000	1	106.3680	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|C<4>,2|C<3>}	108.3757	0.711	3	108.3757	0.505	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|C<4>,2|C<3>}	106.7763	0.531	22	106.8554	0.239	32	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<7>,1|C<3>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<7>,1|C<4>,2|C<3>}	107.0293	0.340	10	106.8554	0.239	32	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|C<4>,2|C<3>}	106.7355	0.249	6	106.7355	0.062	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|C<4>,2|C<3>}	107.0447	0.206	3	107.4183	0.587	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<5>,1|C<3>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<5>,1|C<4>,2|C<3>}	108.5390	0.000	1	107.4183	0.587	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ni<4>,1|H<1>,1|O<2>,2|C<4>}	107.9250	0.156	2	107.9250	0.024	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<3>}	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ni<4>,1|C<4>,2|C<3>}	107.4417	0.323	3	107.4417	0.104	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<9>,1|C<3>}	N[5](C[5]N[5]Os)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Os<9>,1|C<3>,1|C<4>,1|N<3>}	108.3290	0.000	1	108.3290	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<6>,1|C<3>}	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<6>,1|C<4>,2|C<3>}	107.1517	1.122	4	107.1583	0.811	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<7>,1|C<3>}	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<7>,1|C<4>,2|C<3>}	107.5420	0.000	1	107.1583	0.811	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Os<9>,1|C<3>}	N[5](C[5]N[5]Os)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Os<9>,1|C<4>,2|C<3>}	106.8010	0.000	1	107.1583	0.811	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,1|N<2>,1|N<3>}	108.2550	0.000	1	108.2550	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>}	107.7390	0.000	1	107.7390	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	107.4480	0.058	2	107.2737	0.093	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,1|N<2>,1|N<3>}	106.9250	0.000	1	107.2737	0.093	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	107.2080	0.370	9	107.1854	0.127	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,1|C<4>,2|C<3>}	106.9820	0.000	1	107.1854	0.127	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	108.0914	0.241	9	107.9775	0.122	11	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,1|N<2>,1|N<3>}	107.4650	0.337	2	107.9775	0.122	11	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|Pd<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|Pd<4>,1|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]H)(H){1|Pd<4>,1|C<4>}	105.9460	0.000	1	105.9460	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>}	107.2230	0.946	5	107.0214	0.323	30	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	106.9597	0.478	24	107.0214	0.323	30	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|N<2>}	107.4940	0.000	1	107.0214	0.323	30	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	106.6990	0.000	1	106.8490	0.045	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,1|C<4>,2|C<3>}	106.9990	0.000	1	106.8490	0.045	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	107.4287	0.342	3	107.4287	0.117	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>}	106.9603	0.974	3	106.7023	0.363	24	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	106.6590	0.580	17	106.7023	0.363	24	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|N<2>}	107.1930	0.000	1	106.7023	0.363	24	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,1|C<4>,2|C<3>}	106.8135	0.121	2	106.7023	0.363	24	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<7>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<7>,1|C<3>,1|C<4>,1|N<2>}	105.9510	0.000	1	106.7023	0.363	24	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	108.6890	0.000	1	108.0660	0.761	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,1|N<2>,1|N<3>}	108.2267	0.824	3	108.0660	0.761	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,3|C<4>}	106.9610	0.000	1	108.0660	0.761	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	107.0328	0.696	26	107.0606	0.484	28	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|N<2>}	108.0060	0.000	1	107.0606	0.484	28	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,1|C<4>,2|C<3>}	106.8380	0.000	1	107.0606	0.484	28	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HS)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CC[6a]HS){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,1|C<4>,2|C<3>}	106.3280	0.000	1	106.3280	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	107.7307	0.115	3	107.5696	0.208	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,1|N<2>,1|N<3>}	107.8800	0.000	1	107.5696	0.208	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,3|C<4>}	106.7760	0.000	1	107.5696	0.208	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]N[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|N<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|H<1>,1|N<3>}	C[5](N[5]C[5]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	108.3100	0.000	1	108.3100	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>}	106.8440	0.000	1	107.1396	0.165	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	107.0980	0.349	9	107.1396	0.165	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|N<2>}	107.7960	0.000	1	107.1396	0.165	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,1|C<4>,2|C<3>}	107.1465	0.688	2	107.1396	0.165	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHO)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHO){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	106.6770	0.563	2	106.6770	0.317	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHP)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHP){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	105.8600	0.000	1	105.8600	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	106.1270	0.384	4	106.1270	0.147	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	106.0999	0.900	20	106.2533	0.855	24	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<5>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<5>,1|C<4>,2|C<3>}	107.0203	0.697	4	106.2533	0.855	24	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<4>,2|C<3>}	106.2870	1.056	2	106.2870	1.116	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<4>,2|C<3>}	107.1382	0.199	4	107.1382	0.039	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pt<6>,1|H<1>,1|O<2>,2|C<4>}	107.8090	0.000	1	107.8090	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<4>,2|C<3>}	107.0445	0.964	2	107.5522	0.616	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<5>,1|C<3>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<5>,1|C<4>,2|C<3>}	107.5655	0.206	2	107.5522	0.616	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<3>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<6>,1|C<4>,2|C<3>}	108.5410	0.000	1	107.5522	0.616	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>}	106.6490	0.617	2	107.1765	0.517	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<4>,1|C<3>}	N[5](C[5]N[5]Pt)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<4>,2|C<3>}	107.7040	0.243	2	107.1765	0.517	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|N<3>}	107.6340	0.130	2	107.6340	0.017	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	N[5](C[5]N[5]Re)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	106.7620	0.277	6	106.7620	0.077	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<3>}	N[5](C[5]N[5]Re)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|N<3>}	107.0835	1.009	2	107.0835	1.018	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,1|N<2>,1|N<3>}	107.3480	0.000	1	107.3480	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,2|C<3>}	106.9800	1.214	5	106.9800	1.474	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<8>,1|C<3>,1|C<4>,1|N<3>}	107.8790	0.000	1	108.3480	0.440	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,1|N<2>,1|N<3>}	108.8170	0.000	1	108.3480	0.440	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	106.9040	0.532	8	106.9040	0.283	8	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	106.7640	0.539	5	106.6655	0.291	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,2|C<3>}	106.1730	0.000	1	106.6655	0.291	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<8>,1|H<1>,1|O<2>,2|C<4>}	106.1120	0.000	1	106.1120	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<2>}	107.6465	0.582	2	106.8702	0.545	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	106.4820	0.439	4	106.8702	0.545	6	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HP)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CC[6a]HP){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>}	107.2750	0.000	1	107.2750	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	108.2380	0.250	2	108.0340	0.242	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<7>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<7>,1|C<4>,2|C<3>}	108.6120	0.000	1	108.0340	0.242	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<8>,1|C<3>,1|C<4>,1|N<3>}	107.5530	0.000	1	108.0340	0.242	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,2|C<3>}	107.5290	0.000	1	108.0340	0.242	5	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<4>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<4>,1|C<4>,2|C<3>}	107.2325	0.035	2	107.6242	0.931	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	107.0070	0.178	4	107.6242	0.931	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<8>,1|C<3>,1|C<4>,1|N<2>}	107.3670	0.000	1	107.6242	0.931	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<8>,1|C<4>,2|C<3>}	108.7940	1.067	3	107.6242	0.931	10	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<5>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<5>,1|C<3>,1|C<4>,1|N<3>}	108.4485	0.237	2	107.9295	0.439	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>}	107.4105	0.429	2	107.9295	0.439	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	105.7560	0.000	1	105.7560	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	108.1087	0.709	18	108.1087	0.503	18	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>}	107.8870	0.000	1	107.8870	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<5>,1|C<4>,2|C<3>}	107.0406	0.408	7	107.2455	0.390	11	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	107.6040	0.836	4	107.2455	0.390	11	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	107.9510	0.354	12	107.9226	0.126	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>}	107.5820	0.000	1	107.9226	0.126	13	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<5>,1|C<4>,2|C<3>}	106.7025	0.094	2	106.8125	0.306	17	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	106.7664	0.560	14	106.8125	0.306	17	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	107.6790	0.000	1	106.8125	0.306	17	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	105.9300	0.258	3	105.9300	0.067	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	106.5209	0.304	7	106.5209	0.092	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]2H)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]2H){1|C<3>,1|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<3>,1|C<4>,1|S<2>}	107.4580	0.000	1	107.4580	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]CH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	106.8815	0.124	2	106.8815	0.015	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>}	107.7030	0.000	1	107.8157	0.320	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	107.8404	0.690	5	107.8157	0.320	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>}	107.8050	0.000	1	107.8157	0.320	7	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	107.0360	0.000	1	107.4762	0.275	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	107.5163	0.530	11	107.4762	0.275	12	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	108.1450	0.582	11	108.1489	0.354	17	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,1|N<2>,1|N<3>}	108.3955	0.489	4	108.1489	0.354	17	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>}	107.0200	0.000	1	108.1489	0.354	17	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	108.3350	0.000	1	108.1489	0.354	17	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	107.5815	0.599	4	107.6545	0.208	15	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	107.6811	0.425	11	107.6545	0.208	15	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHP)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHP){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<7>,1|C<4>,2|C<3>}	106.2560	0.000	1	106.2560	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHS)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<9>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CHHS){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	106.7610	0.689	2	106.7610	0.474	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	107.7620	0.711	3	107.7620	0.506	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<2>}	107.0428	0.487	6	106.6039	0.712	9	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	105.7260	0.723	3	106.6039	0.712	9	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|Se<1>,1|C<4>,1|N<2>,1|N<3>}	107.9070	0.000	1	107.9070	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<1>,1|C<4>,2|C<3>}	107.6060	0.000	1	107.7515	0.042	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCCH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|N<2>}	107.8970	0.000	1	107.7515	0.042	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<1>,1|C<4>,2|C<3>}	107.8400	0.000	1	107.9363	0.169	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,1|C<4>,2|C<3>}	107.9683	0.498	3	107.9363	0.169	4	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|Se<2>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|Ru<6>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|Se<2>,1|C<4>}	107.6605	0.019	2	107.6605	0.000	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<1>,1|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]H)(H){1|Se<1>,1|C<4>,1|N<2>,1|N<3>}	108.6910	0.000	1	108.6910	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Se<2>,1|C<3>}	N[5](C[5]N[5]Se)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Se<2>,1|C<4>,2|C<3>}	107.2553	0.296	3	107.2553	0.087	3	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Th)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Th)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Th<13>}	N[5](C[5]N[5]Th)(C[5]C[5]H)(CH3){1|H<1>}	C[5](N[5]C[5]Th)(C[5]N[5]H)(H){1|C<4>}	106.9800	0.000	1	107.1970	0.094	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Th)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Th)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Th<14>}	N[5](C[5]N[5]Th)(C[5]C[5]H)(CH3){1|H<1>}	C[5](N[5]C[5]Th)(C[5]N[5]H)(H){1|C<4>}	107.4140	0.000	1	107.1970	0.094	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ti<6>,1|C<3>}	N[5](C[5]N[5]Ti)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ti<6>,1|C<4>,2|C<3>}	107.2645	0.067	2	107.2645	0.005	2	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Yb)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Yb<10>,1|C<3>}	N[5](C[5]N[5]Yb)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Yb<10>,1|C<3>,2|C<4>}	107.2854	0.845	8	107.2854	0.715	8	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Zn)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zn<4>,1|C<3>}	N[5](C[5]N[5]Zn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<4>,1|C<4>,2|C<3>}	106.5240	0.000	1	106.5240	0.000	1	106.9789	0.796	1698	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(PRuCC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){2|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(PRuCC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	107.1300	0.000	1	107.1300	0.000	1	106.7356	0.405	5	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(PCuCC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Cu<3>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]H)(PCuCC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Cu<3>,1|P<4>}	107.2195	0.260	2	107.2195	0.067	2	106.7356	0.405	5	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(PRuCC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(PRuCC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|P<4>}	106.0545	0.047	2	106.0545	0.002	2	106.7356	0.405	5	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]N[5]Al)(C[5]C[5]H)(PCCO)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Al<5>,1|C<3>}	N[5](C[5]N[5]Al)(C[5]C[5]H)(PCCO){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Al<5>,1|P<4>,2|C<3>}	106.1160	0.458	2	106.1160	0.210	2	106.1680	0.113	3	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:P-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]P)(H)	N[5](C[5]N[5]Cr)(C[5]C[5]H)(PCrCC)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]P)(H){1|Cr<5>,1|C<3>}	N[5](C[5]N[5]Cr)(C[5]C[5]H)(PCrCC){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cr<5>,1|P<4>,2|C<3>}	106.2720	0.000	1	106.2720	0.000	1	106.1680	0.113	3	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:S-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(SNOO)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]S)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(SNOO){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|S<4>}	105.8910	0.116	2	105.8910	0.013	2	105.8910	0.013	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:S-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(SC[6a]OO)	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]S)(H){1|Rh<5>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(SC[6a]OO){1|Rh<5>,1|H<1>}	C[5](N[5]C[5]Rh)(C[5]N[5]H)(H){1|H<1>,1|S<4>}	105.2945	0.677	2	105.2945	0.458	2	105.2945	0.458	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](C[5]C[5]H)(N[5]C[5]H)(BC[6a]3)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){2|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]H)(BC[6a]3){2|H<1>}	C[5](C[5]N[5]H)2(H){1|B<4>,1|H<1>}	110.3250	0.000	1	110.3250	0.000	1	108.8161	0.228	161	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](C[5]C[5]H)(N[5]C[5]U)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|U<11>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]U)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|U<11>,1|B<4>}	109.1503	0.251	3	109.1503	0.063	3	108.8161	0.228	161	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](C[5]C[5]H)(N[5]C[5]V)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|H<1>,1|V<6>}	N[5](C[5]C[5]H)(N[5]C[5]V)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|B<4>,1|V<6>}	108.6799	0.395	9	108.6799	0.156	9	108.8161	0.228	161	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](C[5]C[5]H)(N[5]C[5]W)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|H<1>,1|W<6>}	N[5](C[5]C[5]H)(N[5]C[5]W)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|B<4>,1|W<6>}	108.8414	0.515	12	108.8035	0.221	146	108.8161	0.228	161	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](C[5]C[5]H)(N[5]C[5]W)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|H<1>,1|W<7>}	N[5](C[5]C[5]H)(N[5]C[5]W)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|B<4>,1|W<7>}	108.8001	0.468	134	108.8035	0.221	146	108.8161	0.228	161	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](C[5]C[5]H)(N[5]C[5]W)(BN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|H<1>,1|W<8>}	N[5](C[5]C[5]H)(N[5]C[5]W)(BN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|B<4>,1|W<8>}	109.0915	0.226	2	109.0915	0.051	2	108.8161	0.228	161	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]V)(CCHH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]C)(H){1|C<3>,1|V<6>}	N[5](C[5]C[5]H)(N[5]C[5]V)(CCHH){1|Cl<1>,1|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(Cl){1|C<3>,1|C<4>,1|N<3>,1|V<6>}	106.5080	0.000	1	106.5080	0.000	1	106.5080	0.000	1	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]Cr)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cr<6>,1|C<4>}	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|Cr<6>,1|H<1>}	C[5](C[5]N[5]Cr)(C[5]N[5]H)(H){2|C<4>}	108.4760	0.000	1	108.4760	0.000	1	107.7357	0.888	12	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]Rh)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|C<4>}	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>}	C[5](C[5]N[5]Rh)(C[5]N[5]H)(H){2|C<4>}	109.2825	0.337	2	109.2825	0.114	2	107.7357	0.888	12	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]V)(CN[5]2S)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|H<1>,1|V<6>}	N[5](C[5]C[5]H)(N[5]C[5]V)(CN[5]2S){2|H<1>}	C[5](C[5]N[5]H)2(H){1|C<4>,1|V<6>}	107.3097	0.579	9	107.3097	0.336	9	107.7357	0.888	12	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]B)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(H){1|Cr<5>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]H)(BN[5]2H){1|Br<1>,1|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Cr<5>,1|B<4>}	108.2345	0.534	2	108.2345	0.285	2	108.0588	0.307	6	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]B)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(H){1|Fe<4>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]2H){1|Br<1>,1|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Fe<4>,1|B<4>}	107.7805	0.730	2	107.7805	0.534	2	108.0588	0.307	6	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]B)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(H){1|Mn<4>,1|C<4>}	N[5](N[5]C[5]Mn)(C[5]C[5]H)(BN[5]2H){1|Br<1>,1|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Mn<4>,1|B<4>}	108.1615	0.694	2	108.1615	0.481	2	108.0588	0.307	6	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Be)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Be<4>,1|H<1>}	N[5](N[5]C[5]Be)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Be<4>,1|B<4>}	108.4663	0.240	8	108.4663	0.057	8	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ca)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ca<6>,1|H<1>}	N[5](N[5]C[5]Ca)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ca<6>,1|B<4>}	108.4690	0.000	1	108.5323	0.009	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ca)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ca<9>,1|H<1>}	N[5](N[5]C[5]Ca)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ca<9>,1|B<4>}	108.5640	0.107	2	108.5323	0.009	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<6>,1|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Co<6>,1|B<4>,1|C<3>,1|N<3>}	108.8493	0.847	3	108.8493	0.717	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<5>,1|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Co<5>,1|B<4>,2|C<3>}	109.2264	0.669	5	109.0140	0.344	8	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<6>,1|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Co<6>,1|B<4>,2|C<3>}	108.6600	0.105	3	109.0140	0.344	8	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<5>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<5>,1|B<4>}	108.6871	0.335	12	108.6187	0.112	18	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<6>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Co<6>,1|B<4>}	108.4818	0.316	6	108.6187	0.112	18	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<6>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<6>,1|B<4>}	108.6922	0.285	12	108.6956	0.071	14	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<8>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<8>,1|B<4>}	108.7160	0.151	2	108.6956	0.071	14	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]3)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<4>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]3){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<4>,1|B<4>}	109.5835	0.350	2	109.5835	0.123	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cr<6>,1|H<1>}	N[5](N[5]C[5]Cr)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cr<6>,1|B<4>}	108.6932	1.913	9	108.7391	3.273	10	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Cr)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cr<8>,1|H<1>}	N[5](N[5]C[5]Cr)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cr<8>,1|B<4>}	109.1520	0.000	1	108.7391	3.273	10	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<4>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|B<4>,2|C<3>}	108.5195	0.269	6	108.5213	0.059	12	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<5>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<5>,1|B<4>,2|C<3>}	108.5232	0.238	6	108.5213	0.059	12	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<4>,1|N<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]2H){1|H<1>,1|N<3>}	C[5](C[5]N[5]H)(C[5]N[5]N)(H){1|Cu<4>,1|B<4>}	108.8367	0.021	3	108.8367	0.000	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<4>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|B<4>}	108.5037	0.138	6	108.6892	0.217	9	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<5>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|B<4>}	109.0603	0.714	3	108.6892	0.217	9	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<4>,1|N<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]HH){1|H<1>,1|N<3>}	C[5](C[5]N[5]H)(C[5]N[5]N)(H){1|Cu<4>,1|B<4>}	108.9595	0.011	2	108.9595	0.000	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<4>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(BN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|B<4>}	108.8083	0.316	4	108.8083	0.100	4	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Eu)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Eu<8>,1|H<1>}	N[5](N[5]C[5]Eu)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Eu<8>,1|B<4>}	108.7982	0.505	12	108.7982	0.255	12	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BC[6]CO)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<5>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BC[6]CO){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<5>,1|B<4>}	109.5430	0.000	1	109.5430	0.000	1	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BC[6a]CC)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<4>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BC[6a]CC){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<4>,1|B<4>}	110.7720	0.461	2	110.3023	0.768	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BC[6a]CC)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<5>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BC[6a]CC){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<5>,1|B<4>}	109.3630	0.000	1	110.3023	0.768	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]2C)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]2C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|B<4>}	109.3650	0.322	3	109.3650	0.104	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]2C)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]2C){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|B<4>}	108.7806	0.560	42	108.7806	0.314	42	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|B<4>}	108.6563	0.585	56	108.6563	0.342	56	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|B<4>,1|C<3>,1|N<3>}	109.3250	0.160	2	109.3250	0.026	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(BN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|B<4>}	109.1730	0.276	63	109.1730	0.076	63	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BC3)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<8>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BC3){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<8>,1|B<4>}	110.0110	0.000	1	110.0110	0.000	1	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<6>,1|C<3>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|B<4>,2|C<3>}	108.7216	0.264	10	108.7721	0.105	18	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<7>,1|C<3>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<7>,1|B<4>,2|C<3>}	108.8351	0.398	8	108.7721	0.105	18	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<6>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|B<4>}	108.7909	0.301	18	108.8154	0.554	30	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<7>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<7>,1|B<4>}	108.8522	1.148	12	108.8154	0.554	30	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]CC)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<6>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]CC){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|B<4>}	109.2830	0.463	4	109.2830	0.214	4	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Li)(C[5]C[5]H)(BN[5]CO)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Li<4>,1|C<4>}	N[5](N[5]C[5]Li)(C[5]C[5]H)(BN[5]CO){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Li<4>,1|B<4>}	108.8925	0.248	2	108.8925	0.062	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mg<6>,1|H<1>}	N[5](N[5]C[5]Mg)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mg<6>,1|B<4>}	108.2000	0.000	1	108.2000	0.000	1	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Mg)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mg<5>,1|H<1>}	N[5](N[5]C[5]Mg)(C[5]C[5]H)(BN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mg<5>,1|B<4>}	109.3316	0.202	8	109.3316	0.041	8	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mn<6>,1|H<1>}	N[5](N[5]C[5]Mn)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|B<4>}	108.7682	0.377	4	108.7682	0.142	4	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mo<6>,1|C<4>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mo<6>,1|B<4>}	108.9123	0.859	69	108.9123	0.738	69	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mo<6>,1|H<1>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mo<6>,1|B<4>}	108.7732	0.597	53	108.7545	0.248	119	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mo<7>,1|H<1>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mo<7>,1|B<4>}	108.7619	0.368	45	108.7545	0.248	119	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mo<8>,1|H<1>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mo<8>,1|B<4>}	108.6915	0.487	21	108.7545	0.248	119	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mo<8>,1|H<1>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(BN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mo<8>,1|B<4>}	109.2040	0.087	4	109.2040	0.008	4	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Nd)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Nd<12>,1|C<3>}	N[5](N[5]C[5]Nd)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Nd<12>,1|B<4>,1|C<3>,1|N<3>}	108.9187	0.143	3	108.9187	0.020	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<4>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<4>,1|B<4>,2|C<3>}	108.7598	0.276	9	108.5840	0.183	18	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<5>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<5>,1|B<4>,2|C<3>}	108.5142	0.572	6	108.5840	0.183	18	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<6>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<6>,1|B<4>,2|C<3>}	108.1963	0.232	3	108.5840	0.183	18	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<5>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	108.4273	0.388	3	108.6787	0.186	12	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|B<4>}	108.7624	0.433	9	108.6787	0.186	12	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<5>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<5>,1|B<4>}	108.5041	0.207	16	108.5163	0.037	36	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<6>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|B<4>}	108.5261	0.183	20	108.5163	0.037	36	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ni<5>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(BN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<5>,1|B<4>}	110.2120	0.000	1	110.2120	0.000	1	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Os)(C[5]C[5]H)(BN[5]2C)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Os<6>,1|H<1>}	N[5](N[5]C[5]Os)(C[5]C[5]H)(BN[5]2C){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Os<6>,1|B<4>}	108.8830	0.309	6	108.8830	0.096	6	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Os)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Os<5>,1|H<1>}	N[5](N[5]C[5]Os)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Os<5>,1|B<4>}	109.4147	0.924	6	108.9367	0.675	68	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Os)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Os<6>,1|H<1>}	N[5](N[5]C[5]Os)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Os<6>,1|B<4>}	108.9678	0.893	43	108.9367	0.675	68	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Os)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Os<7>,1|H<1>}	N[5](N[5]C[5]Os)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Os<7>,1|B<4>}	108.7452	0.544	12	108.9367	0.675	68	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Os)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Os<8>,1|H<1>}	N[5](N[5]C[5]Os)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Os<8>,1|B<4>}	108.6646	0.559	7	108.9367	0.675	68	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Pd<6>,1|H<1>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<6>,1|B<4>}	109.9420	1.127	3	109.9420	1.270	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(BN[5]3)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(BN[5]3){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|B<4>}	109.0655	0.712	2	109.0655	0.507	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(BN[5]CC)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Pt<4>,1|H<1>}	N[5](N[5]C[5]Pt)(C[5]C[5]H)(BN[5]CC){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pt<4>,1|B<4>}	110.1065	0.655	2	110.1065	0.430	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Pt<4>,1|H<1>}	N[5](N[5]C[5]Pt)(C[5]C[5]H)(BN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pt<4>,1|B<4>}	109.2285	0.416	2	109.2285	0.173	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Pu)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Pu<9>,1|H<1>}	N[5](N[5]C[5]Pu)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pu<9>,1|B<4>}	108.6230	0.450	2	108.6230	0.202	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(BC[6a]2O)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<6>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(BC[6a]2O){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|B<4>}	109.6790	0.260	2	109.6790	0.068	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<6>,1|C<3>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Re<6>,1|B<4>,1|C<3>,1|N<2>}	108.6940	0.000	1	108.6940	0.000	1	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<6>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|B<4>}	109.5370	0.779	2	108.7268	0.236	29	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<7>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<7>,1|B<4>}	108.6894	0.413	25	108.7268	0.236	29	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<9>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<9>,1|B<4>}	108.3835	0.566	2	108.7268	0.236	29	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<6>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(BN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|B<4>}	109.8478	0.513	6	109.8478	0.263	6	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BC3)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<4>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BC3){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<4>,1|B<4>}	109.4860	0.000	1	109.4210	0.007	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BC3)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<5>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BC3){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<5>,1|B<4>}	109.3885	0.083	2	109.4210	0.007	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BC[6a]2O)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<8>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BC[6a]2O){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<8>,1|B<4>}	109.2890	0.000	1	109.2890	0.000	1	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<5>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<5>,1|B<4>}	108.9133	0.334	3	108.8451	1.074	15	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<6>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|B<4>}	109.1924	0.601	8	108.8451	1.074	15	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<7>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<7>,1|B<4>}	108.0992	1.740	4	108.8451	1.074	15	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BN[5]3)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<6>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BN[5]3){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|B<4>}	108.7505	0.511	6	108.7505	0.261	6	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BN[5]CC)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<7>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BN[5]CC){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<7>,1|B<4>}	109.2435	0.436	2	109.2435	0.190	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]2C)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]2C){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|B<4>}	108.5037	0.386	3	108.5037	0.149	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]2Cl)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]2Cl){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|B<4>}	108.6820	0.297	6	108.6820	0.088	6	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|B<4>}	108.8161	0.736	234	108.7995	0.540	249	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<7>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<7>,1|B<4>}	108.4516	0.739	12	108.7995	0.540	249	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<8>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<8>,1|B<4>}	108.8970	0.186	3	108.7995	0.540	249	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]FF)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]FF){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|B<4>}	108.7300	0.878	2	108.7300	0.771	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(BN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|B<4>}	109.0370	0.393	6	109.0370	0.154	6	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Sm)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Sm<6>,1|C<3>}	N[5](N[5]C[5]Sm)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Sm<6>,1|B<4>,2|C<3>}	109.0173	0.153	3	109.0173	0.024	3	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Sr)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Sr<6>,1|H<1>}	N[5](N[5]C[5]Sr)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Sr<6>,1|B<4>}	108.9472	0.536	12	108.9472	0.287	12	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ti)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ti<6>,1|C<3>}	N[5](N[5]C[5]Ti)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ti<6>,1|B<4>,2|C<3>}	108.6105	0.110	2	108.6105	0.012	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ti)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ti<6>,1|H<1>}	N[5](N[5]C[5]Ti)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ti<6>,1|B<4>}	108.9326	0.282	11	108.9326	0.079	11	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Zn<5>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Zn<5>,1|B<4>,2|C<3>}	109.0395	0.985	6	109.0395	0.969	6	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Zn<4>,1|H<1>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Zn<4>,1|B<4>}	108.8996	0.348	17	108.8990	0.101	23	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Zn<6>,1|H<1>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Zn<6>,1|B<4>}	108.8972	0.236	6	108.8990	0.101	23	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(BN[5]3)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Zn<4>,1|H<1>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(BN[5]3){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Zn<4>,1|B<4>}	108.3635	1.231	2	108.3635	1.516	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Zr)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Zr<11>,1|H<1>}	N[5](N[5]C[5]Zr)(C[5]C[5]H)(BN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Zr<11>,1|B<4>}	109.2870	0.236	2	109.2870	0.056	2	108.8401	0.429	1085	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	C[5](C[5]N[5]H)2(Br){1|Pd<4>,1|C<4>}	107.4823	1.239	6	107.4823	1.536	6	107.1994	1.665	8	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]C)(H){1|Rh<8>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){1|Br<1>,1|H<1>}	C[5](C[5]N[5]H)2(Br){1|Rh<8>,1|C<4>}	106.3505	1.433	2	106.3505	2.054	2	107.1994	1.665	8	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CCHH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ag<4>,1|C<3>}	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ag<4>,1|C<3>,1|C<4>,1|N<3>}	107.6270	0.048	2	107.6270	0.002	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ag<4>,1|C<3>}	N[5](N[5]C[5]Ag)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ag<4>,1|C<3>,1|C<4>,1|N<3>}	107.6125	0.616	8	107.6125	0.379	8	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cd)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cd<7>,1|C<3>}	N[5](N[5]C[5]Cd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cd<7>,1|C<3>,1|C<4>,1|N<3>}	107.9760	0.000	1	107.9760	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ce)(C[5]C[5]H)(CN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ce<15>,1|H<1>}	N[5](N[5]C[5]Ce)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ce<15>,1|C<4>}	107.1440	0.492	3	107.1440	0.242	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<5>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<5>,1|C<4>}	107.4900	0.000	1	107.7687	0.075	15	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<6>,1|C<4>}	108.0575	0.234	2	107.7687	0.075	15	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<7>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<7>,1|C<4>}	107.7437	0.260	12	107.7687	0.075	15	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<4>,1|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Co<4>,1|C<4>,2|C<3>}	107.4500	0.000	1	107.4500	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CHHN)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<5>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(CHHN){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<5>,1|C<4>}	107.2460	1.266	2	106.9583	1.049	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CHHN)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(CHHN){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<6>,1|C<4>}	106.3830	0.000	1	106.9583	1.049	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CN[5]2C)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(CN[5]2C){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<6>,1|C<4>}	106.8550	0.471	6	106.8550	0.222	6	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<6>,1|C<4>}	106.9203	0.503	18	106.9203	0.253	18	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<5>,1|C<4>}	107.2745	0.421	2	107.2745	0.177	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|C<4>}	108.0040	0.081	2	108.0040	0.006	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]CH)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]CH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<5>,1|C<4>,2|C<3>}	107.8410	0.000	1	107.8410	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<5>,1|C<4>,2|C<3>}	107.9060	0.000	1	107.9060	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	107.9827	0.424	9	107.9526	0.169	10	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<6>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cu<6>,1|C<3>,1|C<4>,1|N<3>}	107.6820	0.000	1	107.9526	0.169	10	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CC[6a]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|C<4>}	107.3820	0.371	2	107.3820	0.137	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2C)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2C){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|C<4>}	107.5520	0.479	6	107.5520	0.229	6	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|C<4>,2|C<3>}	106.8853	0.285	3	106.8853	0.081	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|C<4>}	106.5399	0.535	9	106.5399	0.287	9	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]CH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|C<4>}	106.8175	0.047	2	107.0558	0.520	6	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]CH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|C<4>}	107.1750	0.899	4	107.0558	0.520	6	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<4>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<4>,1|C<4>}	108.5440	0.000	1	108.5440	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[5]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	108.0290	0.098	2	108.0290	0.010	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	107.4850	0.000	1	107.4850	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|C<4>}	107.9780	0.684	2	107.9780	0.469	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	107.1510	0.597	2	107.1510	0.356	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	108.4120	0.000	1	108.4120	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<5>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Fe<5>,1|C<4>,2|C<3>}	108.0363	0.141	6	108.0363	0.020	6	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|C<4>}	107.8660	0.380	2	107.8660	0.145	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2C)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2C){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|C<4>}	106.9651	0.288	18	106.9651	0.083	18	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|C<4>}	106.8022	0.284	18	106.8022	0.081	18	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|C<3>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	108.0160	0.000	1	108.0160	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<4>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<4>,1|C<4>}	108.2450	0.000	1	108.0525	0.074	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<4>}	107.8600	0.000	1	108.0525	0.074	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<4>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<4>,1|C<4>}	108.9020	0.000	1	108.3113	0.317	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<4>}	108.2510	0.000	1	108.3113	0.317	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<8>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<8>,1|C<4>}	107.7810	0.000	1	108.3113	0.317	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|C<3>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	108.2785	0.094	4	108.2785	0.009	4	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CC[6a]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<4>}	107.9340	0.055	2	107.9340	0.003	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]2C)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<8>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]2C){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<8>,1|C<4>}	106.9080	0.000	1	106.9080	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]2S)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]2S){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<4>}	107.3613	0.453	3	107.3613	0.205	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]CC)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<8>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]CC){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<8>,1|C<4>}	108.2450	1.267	2	108.2450	1.606	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<4>}	107.5740	0.000	1	107.0167	0.444	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<8>,1|H<1>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<8>,1|C<4>}	106.7380	0.649	2	107.0167	0.444	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<5>,1|C<3>}	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Mn<5>,1|C<3>,1|C<4>,1|N<3>}	107.6620	0.000	1	107.6620	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|C<3>}	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Mn<6>,1|C<4>,2|C<3>}	108.5125	0.036	2	108.5125	0.001	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|H<1>}	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|C<4>}	106.8524	0.559	12	106.8524	0.313	12	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|H<1>}	N[5](N[5]C[5]Mn)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|C<4>}	106.9627	0.264	12	106.9627	0.070	12	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCCO)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mo<6>,1|H<1>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCCO){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mo<6>,1|C<4>}	107.1285	0.449	2	107.1285	0.202	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCHH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mo<6>,1|C<3>}	N[5](N[5]C[5]Mo)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Mo<6>,1|C<3>,1|C<4>,1|N<3>}	107.8090	0.406	2	107.8090	0.165	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<6>,1|C<4>,2|C<3>}	107.5598	0.659	6	107.5598	0.435	6	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|C<4>}	107.7860	0.000	1	107.7860	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<4>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<4>,1|C<4>}	107.8690	0.000	1	107.8690	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<4>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H){1|Fe<10>,1|Ni<4>,3|C<4>}	107.9680	0.000	1	107.9680	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CC[6a]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|C<4>}	107.6500	0.000	1	107.6500	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]2C)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]2C){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|C<4>}	107.1490	0.081	6	107.1490	0.007	6	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ni<6>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<6>,1|C<4>}	106.6878	0.557	6	106.6878	0.310	6	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Os)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Os<6>,1|H<1>}	N[5](N[5]C[5]Os)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Os<6>,1|C<4>}	108.7455	0.786	8	108.7455	0.619	8	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<4>}	108.8732	0.291	4	108.8732	0.085	4	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H){1|Fe<10>,1|Pd<4>,3|C<4>}	107.7210	0.000	1	107.7210	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|C<3>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	108.8095	0.466	2	108.8095	0.217	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CH3){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<4>}	108.4560	0.436	5	108.4560	0.190	5	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<4>}	107.1945	0.496	10	107.1945	0.246	10	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<4>}	107.3570	0.000	1	107.3570	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5a]2P)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]Pd)(C[5]C[5]H)(CN[5a]2P){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<4>}	107.1220	0.000	1	107.1220	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|C<3>}	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<4>,2|C<3>}	109.3578	0.442	4	109.3578	0.195	4	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|H<1>}	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pt<4>,1|C<4>}	106.1780	0.000	1	106.1780	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<6>,1|H<1>}	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CC[6a]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pt<6>,1|C<4>}	107.9408	0.360	6	107.9408	0.129	6	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CH3)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|C<3>}	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>}	109.3735	0.958	8	109.3735	0.918	8	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|H<1>}	N[5](N[5]C[5]Pt)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pt<4>,1|C<4>}	107.3245	0.187	2	107.3245	0.035	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|C<3>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|N<3>}	107.6950	0.232	3	107.6950	0.054	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|C<3>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	108.4734	0.232	11	108.4734	0.054	11	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<4>}	107.3092	0.562	9	107.3092	0.316	9	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]2S)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]2S){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<4>}	107.3243	0.591	6	107.3243	0.350	6	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CC)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CC){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<4>}	107.7965	0.401	2	107.7965	0.161	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<4>}	107.1409	0.487	10	107.1409	0.237	10	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	N[5](N[5]C[5]Re)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<4>}	106.5783	1.734	3	106.5783	3.008	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<4>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<4>,1|C<4>}	108.0775	0.076	2	107.7752	0.093	5	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|C<4>}	107.5737	0.177	3	107.7752	0.093	5	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<4>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<4>,1|C<4>}	108.4070	0.000	1	108.2850	0.030	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CC[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|C<4>}	108.1630	0.000	1	108.2850	0.030	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<4>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CH3){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<4>,1|C<4>}	107.7240	0.554	2	107.7240	0.307	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<6>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<6>,1|C<4>}	106.9690	0.000	1	107.4050	0.148	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<8>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<8>,1|C<4>}	107.6230	0.102	2	107.4050	0.148	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5a]2P)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Rh<4>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(CN[5a]2P){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<4>,1|C<4>}	107.3273	0.580	3	107.3273	0.337	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|C<4>}	107.7520	0.033	2	107.8660	0.040	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<8>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<8>,1|C<4>}	108.0940	0.000	1	107.8660	0.040	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[5]CH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[5]CH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|C<4>}	108.1370	0.000	1	108.1370	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|C<3>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	108.4297	0.252	6	108.4297	0.064	6	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|C<3>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	105.3290	0.000	1	105.3290	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|C<3>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	108.6550	0.000	1	108.6550	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2C)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<8>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2C){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<8>,1|C<4>}	106.9920	0.025	2	106.9920	0.001	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|C<4>}	107.0300	0.570	18	106.9556	0.347	21	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|C<4>}	106.5093	0.600	3	106.9556	0.347	21	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2S)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2S){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|C<4>}	107.4147	0.349	3	107.3185	0.061	10	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2S)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]2S){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|C<4>}	107.2773	0.210	7	107.3185	0.061	10	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|C<4>}	107.4110	0.659	2	107.4501	0.130	7	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]H)(CN[5]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|C<4>}	107.4658	0.292	5	107.4501	0.130	7	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Sr)(C[5]C[5]H)(CN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Sr<10>,1|H<1>}	N[5](N[5]C[5]Sr)(C[5]C[5]H)(CN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Sr<10>,1|C<4>}	106.8292	0.705	6	106.8292	0.497	6	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Tc)(C[5]C[5]H)(CN[5]CH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Tc<6>,1|H<1>}	N[5](N[5]C[5]Tc)(C[5]C[5]H)(CN[5]CH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Tc<6>,1|C<4>}	106.6295	0.281	2	106.6295	0.079	2	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]CH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<6>,1|H<1>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]CH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Zn<6>,1|C<4>}	107.6180	0.000	1	107.6180	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<5>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>}	107.9770	0.000	1	107.9770	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<4>,1|H<1>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6]HH){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Zn<4>,1|C<4>}	107.8940	0.000	1	107.8940	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<4>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>}	107.8613	0.432	3	107.8613	0.187	3	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CN[5a]CH)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<4>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]H)(CN[5a]CH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Zn<4>,1|C<4>,2|C<3>}	108.2130	0.000	1	108.2130	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|C<3>,1|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH){2|C<3>,2|H<1>}	C[5](C[5]N[5]H)2(H){1|C<3>,1|C<4>}	109.3310	0.000	1	109.3310	0.000	1	107.4870	0.653	406	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|C<4>}	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|C<4>}	106.1360	1.741	2	106.1360	3.031	2	106.1360	3.031	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]P)(H)	N[5](N[5]C[5]Cu)(C[5]C[5]H)(PN[5]2O)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]P)(H){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]H)(PN[5]2O){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<4>,1|P<4>}	106.6807	0.343	3	106.6807	0.118	3	106.6807	0.118	3	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	P[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	N[5](P[5]B[5a]N[5])(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	C[5](C[5]N[5]H)(N[5]P[5]C)(H){1|B<3>,1|C<4>}	N[5](P[5]B[5a]N[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5]N[5]H)(N[5]P[5]C)(H){1|B<3>,1|C<4>}	115.8055	0.284	2	115.8055	0.080	2	115.8055	0.080	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:I-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]I)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(I){1|C<4>,1|P<3>}	N[5](C[5]C[5]I)(C[5]N[5]P)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]I)(N[5]C[5]C)(H){1|C<4>,1|P<3>}	108.8040	0.000	1	108.8040	0.000	1	107.5795	2.999	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:I-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]I)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(I){1|C<4>,1|S<2>}	N[5](C[5]C[5]I)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]I)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	106.3550	0.000	1	106.3550	0.000	1	107.5795	2.999	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:I-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:I-1:	C[5](C[5]N[5]I)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]I)(N[5]C[5]C)(I)	C[5](C[5]N[5]I)(N[5]C[5]C)(I){1|C<4>,1|H<1>}	N[5](C[5]C[5]I)(C[5]N[5]H)(CCHH){1|C<4>,1|I<1>}	C[5](C[5]N[5]I)(N[5]C[5]C)(I){1|C<4>,1|H<1>}	107.2245	0.021	2	107.2245	0.000	2	106.9408	0.153	4	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:I-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:I-1:	C[5](C[5]N[5]I)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]I)(N[5]C[5]C)(I)	C[5](C[5]N[5]I)(N[5]C[5]C)(I){1|C<4>,1|H<1>}	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|I<1>}	C[5](C[5]N[5]I)(N[5]C[5]C)(I){1|C<4>,1|H<1>}	106.6570	0.368	2	106.6570	0.135	2	106.9408	0.153	4	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5a]O)(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(O)	C[5](C[5]C[5,5a]O)(N[5]C[5,5a]C)(O){1|C<3>,1|S<2>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(O){1|C<4>,2|C<3>}	106.5265	0.019	2	106.5265	0.000	2	106.5265	0.000	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	105.4784	0.656	10	105.4784	0.430	10	106.0449	0.190	87	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	106.0375	0.211	34	106.0375	0.044	34	106.0449	0.190	87	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	105.8810	0.000	1	105.8810	0.000	1	106.0449	0.190	87	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	105.7357	0.153	3	105.7357	0.024	3	106.0449	0.190	87	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	106.1942	0.405	25	106.2086	0.163	26	106.0449	0.190	87	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|O<2>,2|C<3>}	106.5680	0.000	1	106.2086	0.163	26	106.0449	0.190	87	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Cl<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,3|C<3>}	106.7270	0.000	1	106.1709	0.152	11	106.0449	0.190	87	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	106.1232	0.328	8	106.1709	0.152	11	106.0449	0.190	87	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|C<4>,2|C<3>}	106.0835	0.655	2	106.1709	0.152	11	106.0449	0.190	87	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	106.5930	0.000	1	106.5930	0.000	1	106.0449	0.190	87	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	106.8600	0.000	1	106.8600	0.000	1	106.0449	0.190	87	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(N[5]C[5]C)(O){1|Br<1>,1|O<1>}	N[5](C[5]C[5]O)2(CCHH){2|Br<1>}	C[5](C[5]C[5]Br)(C[5]N[5]O)(Br){1|C<4>,1|O<1>}	105.5740	0.187	2	105.5740	0.035	2	105.5740	0.035	2	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CH3){1|Cl<1>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(Cl){1|C<4>,1|O<1>}	105.4370	0.000	1	105.4370	0.000	1	105.4370	0.000	1	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HN)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){2|H<1>}	N[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]HN){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>}	107.7780	0.000	1	107.7780	0.000	1	106.4977	0.449	34	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C[5](C[5]C[3]C[5])(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|N<2>}	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[3]C[5])(C[5]N[5]O)(H){1|H<1>,1|N<2>,3|C<4>}	106.7570	0.000	1	106.7570	0.000	1	106.4977	0.449	34	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|N<2>}	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|C<4>,1|N<2>,2|C<3>}	106.7870	0.000	1	106.7870	0.000	1	106.4977	0.449	34	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)2(CCHH){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	106.1527	0.340	20	106.1527	0.115	20	106.4977	0.449	34	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	N[5](C[5]C[5]O)2(CCHH){1|H<1>,1|N<3>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	107.6983	0.376	3	107.6983	0.141	3	106.4977	0.449	34	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	106.7185	0.158	2	106.7185	0.025	2	106.4977	0.449	34	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHN)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)2(CCHN){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	107.6050	0.617	2	107.6050	0.380	2	106.4977	0.449	34	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6]HH)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6]HH){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	105.9355	0.179	2	105.9355	0.032	2	106.4977	0.449	34	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]N[6])(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|H<1>,1|N<3>}	C[5](C[5]C[5]N[6])(C[5]N[5]O)(H){1|O<1>,3|C<4>}	106.8000	0.000	1	106.8000	0.000	1	106.4977	0.449	34	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]2)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]2)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	106.1340	0.000	1	106.1340	0.000	1	106.4977	0.449	34	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<4>,1|N<2>}	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<4>,1|N<2>}	105.5600	2.802	2	105.5600	7.849	2	105.2788	2.725	4	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]O)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(O){1|C<4>,1|O<1>}	105.0710	0.000	1	105.0710	0.000	1	105.2788	2.725	4	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(O){1|C<4>,1|O<1>}	104.9240	0.000	1	104.9240	0.000	1	105.2788	2.725	4	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<3>,1|N<2>}	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|C<4>,1|N<2>,2|C<3>}	104.2680	0.000	1	104.2680	0.000	1	104.2680	0.000	1	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(SiC3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(SiC3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|Si<4>,1|H<1>}	108.2460	0.000	1	108.2460	0.000	1	107.9614	0.121	8	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]2C)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]2C){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<4>,1|S<1>}	107.6027	0.223	3	107.6027	0.050	3	107.9614	0.121	8	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]CC)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<4>,1|S<1>}	108.2320	0.177	2	108.2320	0.031	2	107.9614	0.121	8	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]CH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(SiN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<4>,1|S<1>}	108.0865	0.269	2	108.0865	0.073	2	107.9614	0.121	8	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(SiC3)	C[5](N[5]C[5]Zr)(C[5]N[5]H)(H)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){1|Zr<10>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(SiC3){1|Zr<10>,1|H<1>}	C[5](N[5]C[5]Zr)(C[5]N[5]H)(H){1|Si<4>,1|C<4>}	107.6150	0.000	1	107.6150	0.000	1	107.8967	0.068	3	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Si-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(SiC3)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){1|Si<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(SiC3){1|Si<4>,1|H<1>}	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){1|Si<4>,1|H<1>}	108.0375	0.128	2	108.0375	0.016	2	107.8967	0.068	3	107.4156	1.217	9408	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S-2:	C[5](C[5]N[5]S)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(SS)	C[5](C[5]N[5]S)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	C[5](C[5]N[5]H)(N[5]C[5]C)(SS){1|C<4>,1|S<1>}	108.1720	0.000	1	108.1720	0.000	1	108.2945	0.030	2	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S-2:	C[5](C[5]N[5]S)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(SC[6a])	C[5](C[5]N[5]S)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){1|C<4>,1|S<2>}	C[5](C[5]N[5]H)(N[5]C[5]C)(SC[6a]){1|Ir<6>,1|C<4>}	108.4170	0.000	1	108.4170	0.000	1	108.2945	0.030	2	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:S-4:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5]C[5]S)(H)	N[5](C[5]C[5]H)(C[5]S[5]N)(SCOO)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5])	C[5](C[5]C[6a]S[5])(N[5]C[5]S)(H){1|N<2>,2|C<3>}	N[5](C[5]C[5]H)(C[5]S[5]N)(SCOO){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5]){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	114.4420	0.059	2	114.4420	0.004	2	114.4420	0.004	2	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(N[5]N[5]B)(H)	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BN[5]HH)	C[5](C[5]N[5]H)2(CN)	C[5](C[5]C[5]C)(N[5]N[5]B)(H){1|Rh<6>,1|H<1>}	N[5](N[5]C[5]Rh)(C[5]C[5]H)(BN[5]HH){1|C<2>,1|H<1>}	C[5](C[5]N[5]H)2(CN){1|Rh<6>,1|B<4>}	108.3180	0.847	2	108.3180	0.718	2	108.3180	0.718	2	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ir<6>,2|C<3>}	N[5](N[5]N[5]Ir)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	105.5710	0.000	1	105.5710	0.000	1	105.4892	0.190	18	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]CH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ni<6>,2|C<3>}	N[5](N[5]N[5]Ni)(C[5]C[5]H)(CC[6a]CH){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	105.6525	0.158	2	105.6525	0.025	2	105.4892	0.190	18	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pd<4>,2|C<3>}	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	105.2525	0.066	2	105.2525	0.004	2	105.4892	0.190	18	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Re<6>,2|C<3>}	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Re<6>,1|C<4>,2|C<3>,2|H<1>}	104.8645	0.315	2	104.8645	0.099	2	105.4892	0.190	18	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHS)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Rh<8>,2|C<3>}	N[5](N[5]N[5]Rh)(C[5]C[5]H)(CHHS){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	105.3780	0.676	2	105.3780	0.457	2	105.4892	0.190	18	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<6>,2|C<3>}	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CCHH){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	105.6990	0.000	1	105.6990	0.000	1	105.4892	0.190	18	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<6>,2|C<3>}	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	105.9177	0.286	4	105.8372	0.094	5	105.4892	0.190	18	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CC[6]HH){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	105.5150	0.000	1	105.8372	0.094	5	105.4892	0.190	18	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CHHS)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CHHS){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	105.5220	0.000	1	105.5220	0.000	1	105.4892	0.190	18	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CSeHH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	N[5](N[5]N[5]Ru)(C[5]C[5]H)(CSeHH){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	104.7420	0.000	1	104.7420	0.000	1	105.4892	0.190	18	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Zn)(C[5]C[5]H)(CCHH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Zn<5>,2|C<3>}	N[5](N[5]N[5]Zn)(C[5]C[5]H)(CCHH){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	105.7900	0.000	1	105.7900	0.000	1	105.4892	0.190	18	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	106.6160	0.000	1	106.6160	0.000	1	106.3316	0.118	39	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	106.5752	0.254	12	106.5752	0.065	12	106.3316	0.118	39	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	106.2900	0.000	1	106.2900	0.000	1	106.3316	0.118	39	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	106.3930	0.016	2	106.3930	0.000	2	106.3316	0.118	39	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NP)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NP){1|C<4>,1|H<1>,2|C<3>}	106.8610	0.000	1	106.8610	0.000	1	106.3316	0.118	39	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NS)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NS){1|C<4>,1|H<1>,2|C<3>}	105.9560	0.000	1	105.9560	0.000	1	106.3316	0.118	39	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	106.2283	0.060	4	106.2347	0.079	6	106.3316	0.118	39	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|Cl<1>,1|C<4>,2|C<3>}	106.2475	0.620	2	106.2347	0.079	6	106.3316	0.118	39	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|C<4>}	106.1630	0.204	2	106.1356	0.040	12	106.3316	0.118	39	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	106.1301	0.209	10	106.1356	0.040	12	106.3316	0.118	39	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){1|C<4>,1|H<1>,2|C<3>}	106.1623	0.746	3	106.1623	0.557	3	106.3316	0.118	39	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(OC)	C[5](C[5]C[5]O)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|O<2>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(OC){1|C<4>,1|O<1>,2|C<3>}	105.1765	0.305	2	105.1765	0.093	2	105.1765	0.093	2	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH)	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|S<2>,2|C<3>}	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH){1|C<3>}	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5]){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	111.0782	0.269	4	111.0782	0.072	4	110.8165	0.099	20	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|C<3>,1|S<1>,1|S<2>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|C<3>}	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|S<1>}	110.7649	0.274	14	110.7649	0.075	14	110.8165	0.099	20	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]HH)	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|C<3>,1|S<1>,1|S<2>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]HH){1|C<3>}	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|S<1>}	110.2560	0.000	1	110.2560	0.000	1	110.8165	0.099	20	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S)	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3)	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5])	C[5](C[5]C[5]S[5])(N[5]C[5]C)(S){1|C<3>,1|S<1>,1|S<2>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3){1|C<3>}	C[5](C[5]C[5]S[5])(C[5]N[5]S)(S[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|S<1>}	111.0530	0.000	1	111.0530	0.000	1	110.8165	0.099	20	107.4651	5.549	85	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:C-3:	C[5](C[5]N[5,6]C)(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(CCC)	C[5](C[5]N[5,6]C)(N[5]C[5,6]C)(H){2|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CH3){4|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(CCC){1|C<4>,1|N<2>,2|C<3>}	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH)	C[5](N[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C)(H){2|C<3>,2|C<4>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]N[5]H){2|C<3>,3|H<1>,4|C<4>}	107.8190	0.069	2	107.8190	0.005	2	107.8190	0.005	2	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]N)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	C[5](C[5]N[5]N)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|B<4>,1|C<4>}	105.6070	0.000	2	105.6070	0.000	2	105.8305	0.248	4	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]N)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	C[5](C[5]N[5]N)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|C<4>,1|H<1>}	105.5330	0.000	1	105.5330	0.000	1	105.8305	0.248	4	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]N)(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	C[5](C[5]N[5]N)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CH3){1|C<4>,1|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|Rh<6>,1|C<4>}	106.5750	0.000	1	106.5750	0.000	1	105.8305	0.248	4	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]2)(N[5]C[5]C)	C[5](C[5]N[5]2)(N[5]C[5]C)(H){1|B<4>,1|C<4>,2|C<3>}	N[5](C[5]C[5]H)(C[5]N[5]B)(CH3){1|C<4>,1|N<3>}	C[5](C[5]N[5]H)(N[5]C[5]2)(N[5]C[5]C){1|B<4>,1|C<4>,2|C<3>,2|O<1>}	105.9730	0.000	2	105.9730	0.000	2	105.9730	0.000	2	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-3:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(PNV)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(PNV){1|C<4>,1|H<1>}	110.5930	0.000	1	110.5930	0.000	1	108.4936	1.484	5	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-3:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|H<1>}	107.7845	0.189	2	107.7845	0.036	2	108.4936	1.484	5	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-3:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|S<1>}	108.5100	0.000	1	108.5100	0.000	1	108.4936	1.484	5	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-3:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(PClN)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(PClN){1|C<4>,1|S<1>}	107.7960	0.000	1	107.7960	0.000	1	108.4936	1.484	5	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(H){1|O<1>,3|C<3>}	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]HH){1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	113.3810	0.000	1	113.3810	0.000	1	113.3810	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	106.8290	0.000	1	106.8290	0.000	1	106.8290	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]C)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){2|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]C){1|C<3>,1|N<2>,2|C<4>}	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Ir<6>,2|C<3>,3|C<4>,3|H<1>}	107.7390	0.000	1	107.7390	0.000	1	108.2635	0.329	4	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Pd<4>,2|C<3>,3|C<4>,3|H<1>}	108.7240	0.362	2	108.7240	0.131	2	108.2635	0.329	4	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Rh<6>,2|C<3>,3|C<4>,3|H<1>}	107.8670	0.000	1	107.8670	0.000	1	108.2635	0.329	4	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	P[3]-3:C[5]-3:N[5]-3:	C[5](C[5]N[5]P[3])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](P[3]P[3,3]2)(C[5]N[5]H)(N[5]C[5]C)	C[5](C[5]N[5]P[3])(N[5]C[5]C)(H){1|C<4>,1|H<1>,2|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<3>}	C[5](P[3]P[3,3]2)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|P<3>}	108.3930	0.000	1	108.3930	0.000	1	108.3930	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	Si[4]-3:C[5]-3:N[5]-3:	C[5](C[5]Si[4]N[5])(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](Si[4]N[4]2)(C[5]N[5]H)(N[5]C[5]C)	C[5](C[5]Si[4]N[5])(N[5]C[5]C)(H){1|C<4>,1|H<1>,2|N<3>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|Si<3>,1|C<4>}	C[5](Si[4]N[4]2)(C[5]N[5]H)(N[5]C[5]C){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	108.7170	0.174	2	108.7170	0.030	2	108.7170	0.030	2	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]B)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(N[5]N[5]B)(H){1|Co<6>,1|C<4>,2|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H){1|Co<6>,1|B<4>,2|C<3>,2|H<1>}	109.2082	0.352	6	109.2082	0.124	6	109.2082	0.124	6	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(N[5]N[5]C)(H)	N[5](N[5]C[5]Co)(C[5]C[5]H)(CH3)	C[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5](C[5]C[5a]C[5])(N[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|Co<6>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){2|Cu<4>,2|C<3>}	N[5](N[5]N[5]Cu)(C[5]C[5]H)(CC[6a]HH){1|Cu<4>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|Cu<4>,1|C<4>,1|H<1>,3|C<3>}	105.6410	0.297	2	105.6410	0.088	2	105.6410	0.088	2	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:I-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-3:	C[5](C[5]N[5]P)(N[5]C[5]C)(I)	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]I)(N[5]C[5]C)(PC[6a]2)	C[5](C[5]N[5]P)(N[5]C[5]C)(I){1|C<4>,1|H<1>}	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|P<3>}	C[5](C[5]N[5]I)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|H<1>}	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5]-3:C-3:	C[5](C[5]C[5,5a]C)(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(CCC)	C[5](C[5]C[5,5a]C)(N[5]C[5,5a]C)(O){1|C<3>,1|S<2>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(CCC){1|C<4>,2|C<3>}	106.6910	0.000	1	106.6910	0.000	1	106.6910	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O){1|S<2>,3|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	107.1167	0.230	3	107.1167	0.053	3	107.2820	0.145	4	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O)	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O){1|S<2>,3|C<3>}	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH){1|S<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	107.7780	0.000	1	107.7780	0.000	1	107.2820	0.145	4	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C-3:C[5]-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]O)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	107.2876	0.759	5	107.2876	0.576	5	107.2876	0.576	5	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	106.2725	0.421	2	106.2725	0.177	2	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	106.2502	0.733	6	106.2502	0.538	6	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	106.7645	0.937	2	106.7645	0.878	2	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	107.0220	0.000	1	107.0220	0.000	1	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	107.1780	0.000	1	107.1780	0.000	1	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	106.9640	0.505	2	106.9640	0.255	2	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	107.0480	0.282	9	107.0480	0.080	9	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	107.1440	0.000	1	107.1440	0.000	1	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	106.4390	0.000	1	106.4390	0.000	1	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]Cl)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]Cl){1|C<4>,1|H<1>,2|C<3>}	106.0610	0.000	1	106.0610	0.000	1	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]S)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]S){1|C<4>,1|H<1>,2|C<3>}	106.5220	0.000	1	106.5220	0.000	1	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	106.5708	0.361	5	106.5708	0.130	5	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	106.8995	0.118	4	106.8995	0.014	4	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN){1|C<4>,1|H<1>,2|C<3>}	106.4250	0.949	2	106.4250	0.900	2	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	106.6180	0.000	1	106.6180	0.000	1	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F){1|C<4>,1|H<1>,2|C<3>}	106.2100	0.423	2	106.2100	0.179	2	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){1|C<4>,1|H<1>,2|C<3>}	106.6200	0.025	2	106.6200	0.001	2	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]C){1|C<4>,1|H<1>,2|C<3>}	106.3870	0.000	1	106.3870	0.000	1	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	106.5075	0.461	6	106.5075	0.212	6	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	107.1973	0.623	3	107.1973	0.388	3	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O){1|Br<1>,1|C<4>,2|C<3>}	107.9390	0.000	1	107.4830	0.416	2	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	107.0270	0.000	1	107.4830	0.416	2	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHN)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHN){1|C<4>,1|H<1>,2|C<3>}	106.9800	0.000	1	106.9800	0.000	1	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	106.2120	0.000	1	106.2120	0.000	1	106.7029	0.284	57	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|Cl<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	108.6240	0.000	1	107.7887	0.400	4	107.3083	0.561	10	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	107.5103	0.367	3	107.7887	0.400	4	107.3083	0.561	10	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]S[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){2|C<3>,2|S<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]S[5]2){1|C<4>,1|H<1>,4|C<3>}	106.1990	0.000	1	106.1990	0.000	1	107.3083	0.561	10	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	106.6220	0.000	1	106.6220	0.000	1	107.3083	0.561	10	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5])(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	106.3310	0.000	1	106.3310	0.000	1	107.3083	0.561	10	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	107.6940	0.000	1	107.6940	0.000	1	107.3083	0.561	10	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH){3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	107.5410	0.124	2	107.5410	0.015	2	107.3083	0.561	10	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O){1|C<4>,1|H<1>,2|C<3>}	104.5620	0.000	1	104.5620	0.000	1	104.5620	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a]C)(O){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	106.8540	0.000	1	106.8540	0.000	1	106.8540	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	106.5970	0.000	1	106.5970	0.000	1	106.5970	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	105.1230	0.000	1	105.1230	0.000	1	105.1230	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(O){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,1|S<4>,2|C<3>}	106.3260	0.000	1	106.3260	0.000	1	106.3260	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](CC[5a]C[6a])(C[5]C[5]Re)(C[5]N[5]O)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|Re<5>,1|C<3>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|Re<5>,1|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]Re)(C[5]N[5]O){1|C<3>,1|C<4>}	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>}	N[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|N<3>}	106.7380	0.000	1	106.7380	0.000	1	106.9640	0.102	2	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC3)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(CC3){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(COO){1|C<4>,1|O<1>,2|C<3>}	107.1900	0.000	1	107.1900	0.000	1	106.9640	0.102	2	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH)	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)2(CCHH){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>}	105.9990	0.000	1	105.9990	0.000	1	106.5706	0.232	9	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)2(CCHH){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>}	106.9400	0.158	2	106.9400	0.025	2	106.5706	0.232	9	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(NCH)	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|N<3>}	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|C<3>}	106.4070	0.499	4	106.4070	0.249	4	106.5706	0.232	9	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,1|N<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>,2|C<3>}	107.1730	0.000	1	107.1730	0.000	1	106.5706	0.232	9	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](C[5]C[5]N)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|N<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>}	106.4550	0.000	1	106.4550	0.000	1	106.5706	0.232	9	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N[6]-3:	C[5](C[5]C[5]N[6])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]H)(C[5]N[5]O)(N[6]C[6]2)	C[5](C[5]C[5]N[6])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(N[6]C[6]2){1|O<1>,3|C<4>,4|H<1>}	105.6740	0.000	1	105.6740	0.000	1	105.6740	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){4|C<3>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	106.7950	0.000	1	106.7950	0.000	1	107.1614	0.051	11	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(CCHH){2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	107.1337	0.300	4	107.1337	0.090	4	107.1614	0.051	11	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(CH3){2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	107.2408	0.115	6	107.2408	0.013	6	107.1614	0.051	11	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H)	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H){1|C<4>,1|O<1>}	105.0880	0.000	1	105.0880	0.000	1	105.3140	0.044	5	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H)	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H){1|C<4>,1|O<1>}	105.5140	0.105	2	105.5140	0.011	2	105.3140	0.044	5	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5]H)	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5]H){1|C<4>,1|O<1>}	105.3240	0.000	1	105.3240	0.000	1	105.3140	0.044	5	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]H)	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]H){1|C<4>,1|O<1>}	105.1300	0.000	1	105.1300	0.000	1	105.3140	0.044	5	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|N<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	108.8132	0.399	4	108.8132	0.159	4	107.5285	1.040	12	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(CC[6a]HH){2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	106.8875	0.349	2	106.8875	0.122	2	107.5285	1.040	12	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(CH3){2|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	106.9485	0.510	2	106.9485	0.260	2	107.5285	1.040	12	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)2(CH3){2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|P<4>,3|C<3>}	106.8542	0.472	4	106.8542	0.222	4	107.5285	1.040	12	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	107.7470	0.000	1	107.7470	0.000	1	107.0132	0.415	11	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(CC3){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.1710	0.000	1	107.1710	0.000	1	107.0132	0.415	11	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(CCHH){2|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	106.7037	0.180	4	106.7037	0.032	4	107.0132	0.415	11	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	106.1730	0.038	2	106.1730	0.001	2	107.0132	0.415	11	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5]O)2(CCHH){1|C<3>,1|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.4605	0.118	2	107.4605	0.014	2	107.0132	0.415	11	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,1|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.1450	0.000	1	108.1450	0.000	1	107.0132	0.415	11	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	N[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]N[5a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5a]C[5])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|N<3>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	105.8810	0.000	1	105.8810	0.000	1	105.8810	0.000	1	107.0768	1.263	169	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5a]3)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]B)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(BN[5a]3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|B<4>,1|H<1>}	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5](C[5]N[5]B)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3)	C[5](C[5]N[5]B)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|B<4>,1|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3){1|C<4>,1|H<1>}	110.9835	0.788	2	110.9835	0.622	2	110.9835	0.622	2	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){2|C<4>}	107.4000	0.000	1	107.4000	0.000	1	107.8533	0.465	8	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	107.9620	0.000	1	107.9620	0.000	1	107.8533	0.465	8	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(CC3)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CH3){2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(CC3){1|C<4>,1|P<4>}	108.8920	0.000	1	108.8920	0.000	1	107.8533	0.465	8	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3){1|C<4>,1|S<1>}	108.7980	0.000	1	108.7980	0.000	1	107.8533	0.465	8	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<8>,1|H<1>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3){1|Ir<8>,1|C<4>}	106.9210	0.000	1	106.9210	0.000	1	107.8533	0.465	8	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CH3){2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|Ir<8>,1|C<4>}	107.6040	0.000	1	107.6040	0.000	1	107.8533	0.465	8	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<8>,1|H<1>}	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3){1|Ir<8>,1|C<4>}	107.6245	0.173	2	107.6245	0.030	2	107.8533	0.465	8	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-4:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(PMn2N)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|C<4>,1|P<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(PMn2N){1|C<4>,1|H<1>}	110.0310	0.000	1	110.0310	0.000	1	108.3838	0.902	5	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-4:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCCH){1|C<4>,1|P<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|H<1>}	108.2680	0.000	1	108.2680	0.000	1	108.3838	0.902	5	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-4:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[5]BN)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[5]BN){1|C<4>,1|S<1>}	107.9180	0.000	1	107.9180	0.000	1	108.3838	0.902	5	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-4:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	108.0710	0.000	1	108.0710	0.000	1	108.3838	0.902	5	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-4:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|P<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|Mo<6>,1|C<4>}	107.6310	0.000	1	107.6310	0.000	1	108.3838	0.902	5	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:Si-4:	C[5](C[5]N[5]Si)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH)	C[5](C[5]N[5]H)(N[5]C[5]C)(SiC3)	C[5](C[5]N[5]Si)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CCCH){1|Si<4>,1|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(SiC3){1|C<4>,1|N<2>}	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|C<4>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCCH){2|C<4>}	107.5200	0.226	2	107.5200	0.051	2	106.7397	0.764	24	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Fe<6>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CCHH){1|Fe<6>,1|C<4>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CH3){2|C<4>}	108.6375	0.721	2	108.6375	0.519	2	106.7397	0.764	24	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CC[5]2O)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Cu<4>,1|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CC[5]2O){2|C<4>}	105.7367	0.087	3	105.7367	0.007	3	106.7397	0.764	24	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](N[5]C[5]Mo)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Mo<8>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|Mo<8>,1|C<4>}	C[5](N[5]C[5]Mo)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	106.4850	0.000	1	106.4850	0.000	1	106.7397	0.764	24	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](N[5]C[5]Tc)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Tc<6>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|Tc<6>,1|C<4>}	C[5](N[5]C[5]Tc)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	106.5220	0.000	1	106.5220	0.000	1	106.7397	0.764	24	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Fe<5>,1|P<3>}	N[5](C[5]C[5]H)(C[5]N[5]P)(CCHH){1|Fe<5>,1|C<4>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CCCH){1|C<4>,1|P<3>}	107.6650	0.527	3	107.6650	0.277	3	106.7397	0.764	24	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Cu<5>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<4>,2|C<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHHN){1|C<3>,1|C<4>}	106.3630	0.358	2	106.3630	0.128	2	106.7397	0.764	24	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Fe<5>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Fe<5>,1|C<4>,2|C<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHHN){1|C<3>,1|C<4>}	106.3499	0.207	10	106.3499	0.043	10	106.7397	0.764	24	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(H)	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]H)(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(H){1|Fe<6>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]H)(CH3){2|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<2>}	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|C<4>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	107.3780	0.000	1	107.3780	0.000	1	107.3600	0.002	3	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|Cl<1>,1|O<1>}	N[5](C[5]C[5]O)2(CH3){1|Cl<1>,1|C<4>}	C[5](C[5]C[5]Cl)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	107.3080	0.000	1	107.3080	0.000	1	107.3600	0.002	3	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|N<3>}	C[5](C[5]N[5a]C[5])(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	107.3940	0.000	1	107.3940	0.000	1	107.3600	0.002	3	107.4325	1.712	45	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:4:2:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:P-4:S[5]-2:	C[5](C[5]S[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]H)(CH3)	C[5](C[5]N[5]H)(PC[6a]2O)(S[5]C[5])	C[5](C[5]S[5]P)(N[5]C[5]C)(H){1|H<1>}	N[5](C[5]C[5]H)(C[5]S[5]H)(CH3){1|P<4>}	C[5](C[5]N[5]H)(PC[6a]2O)(S[5]C[5]){1|C<4>,1|H<1>}	112.4590	0.000	1	112.4590	0.000	1	113.6787	1.124	3	109.6543	20.101	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:4:2:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:P-4:S[5]-2:	C[5](C[5]S[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3)	C[5](C[5]N[5]H)(PC[6a]2O)(S[5]C[5])	C[5](C[5]S[5]P)(N[5]C[5]C)(H){1|S<1>}	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3){1|P<4>}	C[5](C[5]N[5]H)(PC[6a]2O)(S[5]C[5]){1|C<4>,1|S<1>}	114.3800	0.000	1	114.3800	0.000	1	113.6787	1.124	3	109.6543	20.101	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:4:2:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:P-4:S[5]-2:	C[5](C[5]S[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3)	C[5](C[5]N[5]H)(PC[6a]2S)(S[5]C[5])	C[5](C[5]S[5]P)(N[5]C[5]C)(H){1|S<1>}	N[5](C[5]C[5]H)(C[5]S[5]S)(CH3){1|P<4>}	C[5](C[5]N[5]H)(PC[6a]2S)(S[5]C[5]){1|C<4>,1|S<1>}	114.1970	0.000	1	114.1970	0.000	1	113.6787	1.124	3	109.6543	20.101	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:4:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:N[5]-2:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	N[5](N[5]N[5]Pd)(C[5]C[5]H)(CC[6]HH){1|C<4>}	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>}	105.6100	0.000	1	105.6100	0.000	1	105.6300	0.543	3	109.6543	20.101	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:4:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:N[5]-2:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|C<4>}	C[5](C[5]N[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	106.3770	0.000	1	106.3770	0.000	1	105.6300	0.543	3	109.6543	20.101	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:4:2:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C-4:N[5]-2:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(CN[5a]HH)(N[5]N[5])	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	N[5](N[5]N[5]Re)(C[5]C[5]H)(CC[6]HH){1|C<4>}	C[5](C[5]N[5]H)(CN[5a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	104.9030	0.000	1	104.9030	0.000	1	105.6300	0.543	3	109.6543	20.101	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]Al2)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H){2|Al<4>,1|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]HH){2|Al<4>,1|H<1>}	C[5](C[5]C[5]Al2)(C[5]N[5]H)(H){2|C<4>}	108.3945	0.002	2	108.3945	0.000	2	108.7858	0.205	4	108.7858	0.205	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]Al2)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H){2|Al<4>,1|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]H)(CH3){2|Al<4>,1|H<1>}	C[5](C[5]C[5]Al2)(C[5]N[5]H)(H){2|C<4>}	109.1450	0.000	1	109.1450	0.000	1	108.7858	0.205	4	108.7858	0.205	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]C[6])(C[5]C[5]H)(CH3)	C[5](C[5]C[5]Pd2)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H){2|Pd<4>,1|C<3>}	N[5](C[5]C[5]C[6])(C[5]C[5]H)(CH3){2|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]Pd2)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	109.2090	0.000	1	109.2090	0.000	1	108.7858	0.205	4	108.7858	0.205	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:N-2:	C[5](C[5]C[5,5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(NH)	C[5](C[5]C[5,5]N)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>}	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(NH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	107.1720	0.000	1	107.1720	0.000	1	107.1720	0.000	1	107.1720	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	In-4:C[5]-3:N[5]-3:	C[5](C[5]N[5]In)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3)	C[5](InGa[6]CC)(C[5]N[5]H)(N[5]C[5]C)	C[5](C[5]N[5]In)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CC3){1|In<4>,1|C<4>}	C[5](InGa[6]CC)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	110.3350	0.000	1	110.3350	0.000	1	110.3350	0.000	1	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	P-4:C[5]-3:N[5]-3:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3)	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CC3){1|C<4>,1|P<4>}	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<1>}	108.9580	0.023	2	108.9580	0.001	2	108.2549	0.293	7	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	P-4:C[5]-3:N[5]-3:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH)	C[5](PC[6a]2Se)(C[5]N[5]H)(N[5]C[5]C)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	C[5](PC[6a]2Se)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<1>}	107.9480	0.054	3	107.9480	0.003	3	108.2549	0.293	7	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	P-4:C[5]-3:N[5]-3:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3)	C[5](PC[6a]2Se)(C[5]N[5]H)(N[5]C[5]C)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	C[5](PC[6a]2Se)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<1>}	108.4360	0.000	1	108.4360	0.000	1	108.2549	0.293	7	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	P-4:C[5]-3:N[5]-3:	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3)	C[5](PC[6a]2Mo)(C[5]N[5]H)(N[5]C[5]C)	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]H)(CH3){1|C<4>,1|P<4>}	C[5](PC[6a]2Mo)(C[5]N[5]H)(N[5]C[5]C){1|Mo<6>,1|C<4>}	107.5880	0.000	1	107.5880	0.000	1	108.2549	0.293	7	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]2Fe)(C[5]N[5]H)2	C[5](C[5]C[5]2)(N[5]N[5]C)(H){1|Fe<10>,1|H<1>,3|C<4>}	N[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]2Fe)(C[5]N[5]H)2{2|H<1>,4|C<4>}	109.0275	0.445	2	109.0275	0.198	2	109.0275	0.198	2	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|N<3>,1|O<1>}	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|N<3>}	C[5](CC[6a]C[6]H)(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|O<1>}	109.2380	0.000	1	109.2380	0.000	1	109.2380	0.000	1	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC3)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)2(CC3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|O<1>}	108.0990	0.600	2	108.0990	0.360	2	107.5724	0.573	7	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC3)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[5](C[5]C[5]O)2(CC3){1|N<3>,2|C<3>}	C[5](C[5]C[6a]C[5]N)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	108.5720	0.000	1	108.5720	0.000	1	107.5724	0.573	7	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H){1|C<4>,1|O<1>}	107.5060	0.000	1	107.5060	0.000	1	107.5724	0.573	7	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H){1|C<4>,1|O<1>}	106.5650	0.000	1	106.5650	0.000	1	107.5724	0.573	7	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|O<1>}	107.2010	0.000	1	107.2010	0.000	1	107.5724	0.573	7	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCN)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCN){1|C<4>,1|O<1>}	106.9650	0.000	1	106.9650	0.000	1	107.5724	0.573	7	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]C[5]C)(O)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]2)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5]O)2(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	105.9350	0.000	1	105.9350	0.000	1	105.9350	0.000	1	108.1239	1.122	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:5:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-5:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BReH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BReH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|S<2>}	107.9440	0.602	2	107.9440	0.363	2	107.8607	0.202	3	107.8607	0.202	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:3:5:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:B-5:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(BTcH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(BTcH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|S<2>}	107.6940	0.000	1	107.6940	0.000	1	107.8607	0.202	3	107.8607	0.202	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:C[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5])	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5]){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>}	106.4060	0.432	6	106.4060	0.187	6	106.4060	0.187	6	107.4161	4.532	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:C[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(C[5]N[5]){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,2|C<3>}	106.0740	0.000	1	106.0740	0.000	1	106.0740	0.000	1	107.4161	4.532	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:P[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5])	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	C[5](C[5]N[5]H)(N[5]P[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(CC[5a]CH)(P[5]N[5]){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]P[5]C)(H){1|C<4>}	111.1175	0.033	2	111.1175	0.001	2	111.1175	0.001	2	107.4161	4.532	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[5]C[5]N[5])(N[5]N[5]Cu)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Cu<4>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<4>,1|C<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	104.4575	0.448	4	104.4575	0.201	4	104.5103	0.094	10	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	104.5550	0.236	5	104.5550	0.056	5	104.5103	0.094	10	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Ru<6>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]Ru)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	104.4980	0.000	1	104.4980	0.000	1	104.5103	0.094	10	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<5>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	104.5000	0.213	3	104.5000	0.045	3	104.5930	0.195	24	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	104.7185	0.306	2	104.7185	0.094	2	104.5930	0.195	24	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	104.9140	0.175	2	104.9140	0.031	2	104.5930	0.195	24	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Pd<4>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	104.5873	0.025	3	104.5873	0.001	3	104.5930	0.195	24	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Pt<4>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pt<4>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	104.7765	0.274	6	104.7765	0.075	6	104.5930	0.195	24	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Re<6>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	103.6430	0.826	2	103.6430	0.682	2	104.5930	0.195	24	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ru<6>,1|C<3>,1|N<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	104.6267	0.433	6	104.6267	0.187	6	104.5930	0.195	24	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	106.0420	0.000	1	106.0420	0.000	1	106.0420	0.000	1	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Cu<4>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<4>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	105.3830	0.000	1	105.3003	0.069	3	105.3413	0.344	30	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Cu<4>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<4>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	105.2590	0.358	2	105.3003	0.069	3	105.3413	0.344	30	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ir<6>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|F<1>,2|C<3>}	104.4515	0.631	4	104.7268	0.423	6	105.3413	0.344	30	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ir<6>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	105.2775	0.095	2	104.7268	0.423	6	105.3413	0.344	30	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ni<6>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ni<6>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	105.8577	0.601	6	105.8577	0.361	6	105.3413	0.344	30	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Os)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Os<9>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Os<9>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Os)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	105.6380	0.000	1	105.6380	0.000	1	105.3413	0.344	30	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pd<4>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	105.4998	0.400	6	105.4998	0.160	6	105.3413	0.344	30	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pt<4>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pt<4>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	105.8650	0.000	1	105.8650	0.000	1	105.3413	0.344	30	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Rh<8>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<8>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	105.2340	0.000	1	105.2340	0.000	1	105.3413	0.344	30	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<9>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	105.2465	0.409	4	105.2465	0.167	4	105.3413	0.344	30	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Zn<5>,2|C<3>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Zn<5>,1|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	105.0545	0.165	2	105.0545	0.027	2	105.3413	0.344	30	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Fe<6>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<6>,1|C<3>}	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHN){1|C<4>}	105.1195	0.342	2	105.1195	0.117	2	104.6590	0.182	6	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Re)(C[5]N[5]H)(COO)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<3>}	C[5](N[5]N[5]Re)(C[5]N[5]H)(COO){1|C<4>}	104.4288	0.230	4	104.4288	0.053	4	104.6590	0.182	6	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:I-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I)	N[5](C[5]C[5]I)(CC[6a]CH)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I){1|C<4>,2|C<3>}	N[5](C[5]C[5]I)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	105.4757	1.251	3	105.4757	1.565	3	105.5468	0.808	5	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:I-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I)	N[5](C[5]C[5]I)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I){1|C<4>,2|C<3>}	N[5](C[5]C[5]I)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	105.6535	0.255	2	105.6535	0.065	2	105.5468	0.808	5	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:Se-1:	C[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(Se)	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(Se){1|C<4>,2|C<3>}	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	101.9450	0.000	1	101.9450	0.000	1	101.9450	0.000	1	104.9253	0.546	77	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){2|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN){1|C<4>}	106.0060	0.000	1	106.0060	0.000	1	105.9005	0.431	6	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHO)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){2|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHO){1|C<4>}	105.8794	0.732	5	105.8794	0.536	5	105.9005	0.431	6	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Co<5>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Co<5>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN){1|C<4>}	104.8828	0.588	6	104.7856	0.238	9	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Co<6>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Co<6>,1|C<4>}	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN){1|C<4>}	104.5910	0.048	3	104.7856	0.238	9	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Cu)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Cu<5>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<5>,1|C<4>}	C[5](N[5]N[5]Cu)(C[5]N[5]H)(CHHN){1|C<4>}	104.7627	0.367	3	104.7627	0.135	3	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Fe<6>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<6>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHN){1|C<4>}	104.6642	0.143	9	104.6642	0.020	9	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHS)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Fe<5>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Fe<5>,1|C<4>}	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHHS){1|C<4>}	105.3210	0.000	1	105.3210	0.000	1	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ir<4>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<4>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<4>}	105.5490	0.000	1	105.1135	0.106	4	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ir<6>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<6>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<4>}	105.1500	0.000	1	105.1135	0.106	4	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ir<8>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<8>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CN[5]HH){1|C<4>}	104.8775	0.125	2	105.1135	0.106	4	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CSeHH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ir<8>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ir<8>,1|C<4>}	C[5](N[5]N[5]Ir)(C[5]N[5]H)(CSeHH){1|C<4>}	105.9810	0.000	1	105.9810	0.000	1	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Li)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Li<6>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Li<6>,1|C<4>}	C[5](N[5]N[5]Li)(C[5]N[5]H)(CHHN){1|C<4>}	104.5220	0.000	1	104.5220	0.000	1	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ni<6>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ni<6>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CHHN){1|C<4>}	105.4570	0.571	2	105.4570	0.326	2	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CN[5]HH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ni<6>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ni<6>,1|C<4>}	C[5](N[5]N[5]Ni)(C[5]N[5]H)(CN[5]HH){1|C<4>}	105.5980	0.366	2	105.5980	0.134	2	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHS)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CHHS){1|C<4>}	105.1210	0.000	1	105.1210	0.000	1	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5]HH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5]HH){1|C<4>}	105.1105	0.790	2	105.1105	0.624	2	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5a]HH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CN[5a]HH){1|C<4>}	105.9680	0.000	1	105.9680	0.000	1	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CSeHH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Pd<4>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Pd<4>,1|C<4>}	C[5](N[5]N[5]Pd)(C[5]N[5]H)(CSeHH){1|C<4>}	103.9940	0.000	1	103.9940	0.000	1	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Re)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Re<6>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Re<6>,1|C<4>}	C[5](N[5]N[5]Re)(C[5]N[5]H)(CHHN){1|C<4>}	105.2460	0.000	1	105.2460	0.000	1	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Rh<4>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<4>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<4>}	105.0390	0.000	1	105.1350	0.166	9	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Rh<6>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<6>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<4>}	105.1968	0.502	6	105.1350	0.166	9	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Rh<8>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<8>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CN[5]HH){1|C<4>}	104.9975	0.030	2	105.1350	0.166	9	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CSeHH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Rh<8>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Rh<8>,1|C<4>}	C[5](N[5]N[5]Rh)(C[5]N[5]H)(CSeHH){1|C<4>}	105.8090	0.000	1	105.8090	0.000	1	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<6>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<6>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHN){1|C<4>}	105.4065	0.087	2	105.4065	0.008	2	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<9>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<9>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CHHS){1|C<4>}	105.4710	0.000	1	105.4710	0.000	1	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Ru<9>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Ru<9>,1|C<4>}	C[5](N[5]N[5]Ru)(C[5]N[5]H)(CSeHH){1|C<4>}	105.4890	0.000	1	105.4890	0.000	1	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<5>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Zn<5>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN){1|C<4>}	104.7500	0.000	1	104.6915	0.007	2	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Zn<6>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Zn<6>,1|C<4>}	C[5](N[5]N[5]Zn)(C[5]N[5]H)(CHHN){1|C<4>}	104.6330	0.000	1	104.6915	0.007	2	105.0269	0.245	54	105.1143	0.326	60	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C-4:N[5]-3:C[5]-3:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](CC[6a]C[5]O)(N[5]N[5]Cu)(C[5]N[5]H)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Cu<5>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<5>,1|C<4>}	C[5](CC[6a]C[5]O)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>}	104.3970	0.303	4	104.3970	0.092	4	104.3928	0.069	5	104.3928	0.069	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:2:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:N[5]-2:	C-4:N[5]-3:C[5]-3:	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5])	C[5](CC[6a]C[6]O)(N[5]N[5]Cu)(C[5]N[5]H)	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|Cu<5>}	N[5](C[5]C[5]H)(CC[6a]HH)(N[5]N[5]){1|Cu<5>,1|C<4>}	C[5](CC[6a]C[6]O)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>}	104.3760	0.000	1	104.3760	0.000	1	104.3928	0.069	5	104.3928	0.069	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(CC[6a]Ru2)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	N[5](C[5]N[5]Ru)(CC[6a]Ru2)(C[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>}	106.4390	0.544	2	106.4390	0.296	2	106.4390	0.296	2	106.3168	0.566	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|B<4>,1|H<1>,3|C<4>}	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H){1|B<3>,2|O<2>,3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|B<4>,1|H<1>,3|C<4>}	107.0315	0.170	2	107.0315	0.029	2	107.0315	0.029	2	106.3168	0.566	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]PdC)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]PdC)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,3|C<3>}	107.5000	0.000	2	107.5000	0.000	2	107.5000	0.000	2	106.3168	0.566	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	106.4570	0.000	1	106.4570	0.000	1	106.4927	0.067	3	106.3168	0.566	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	106.7680	0.000	1	106.7680	0.000	1	106.4927	0.067	3	106.3168	0.566	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	106.2530	0.000	1	106.2530	0.000	1	106.4927	0.067	3	106.3168	0.566	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	N[5](C[6a]C[6a]2)(C[5]N[5]FH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|F<1>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]FH)(C[5]C[5]O){1|O<1>,2|F<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|F<1>,1|H<1>,3|C<3>}	104.9900	0.000	1	104.9900	0.000	1	105.6643	0.185	7	106.3168	0.566	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	N[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	105.8055	0.430	4	105.8055	0.185	4	105.6643	0.185	7	106.3168	0.566	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	N[5](C[6a]C[6a]2)(C[5]N[5]HS)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|H<1>,1|S<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]HS)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|H<1>,1|S<2>,3|C<3>}	105.7190	0.129	2	105.7190	0.017	2	105.6643	0.185	7	106.3168	0.566	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C[6])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C[6])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	107.5045	0.301	2	107.5045	0.090	2	107.5045	0.090	2	107.4453	0.418	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	107.2440	0.000	1	107.2440	0.000	1	107.2440	0.000	1	107.4453	0.418	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO){1|C<3>,2|H<1>}	108.6130	0.000	1	108.6130	0.000	1	108.6130	0.000	1	107.4453	0.418	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O){1|C<4>,1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H){1|C<4>,2|C<3>}	106.9030	0.041	2	106.9030	0.002	2	106.9030	0.002	2	107.4453	0.418	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	3:3:4:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	3:4:3:	4:3:2:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CN)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(CN){1|C<3>,2|H<1>}	112.7760	0.000	1	112.7760	0.000	1	112.7760	0.000	1	112.7760	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]O)(H)	N[5](C[5]N[5]CC)(C[5]C[5]H)(O)	C[5](C[5]N[5]H)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]O)(H){3|C<4>}	N[5](C[5]N[5]CC)(C[5]C[5]H)(O){1|C<4>,1|O<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	106.6654	2.353	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	108.6860	0.093	2	108.6860	0.009	2	108.6860	0.009	2	106.6654	2.353	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(O)	N[5](C[5]N[5]CO)(C[5]C[5]O)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]N[5]CO)(C[5]C[5]O)(H){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	105.5093	0.267	3	105.5093	0.071	3	105.5093	0.071	3	106.6654	2.353	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(C[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	106.4100	0.000	1	106.4735	0.008	2	107.0430	0.977	3	106.6654	2.353	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(C[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	106.5370	0.000	1	106.4735	0.008	2	107.0430	0.977	3	106.6654	2.353	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(C[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]O)(C[5]N[5]O)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]H)(O){1|C<4>,2|O<2>}	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<2>}	108.1820	0.000	1	108.1820	0.000	1	107.0430	0.977	3	106.6654	2.353	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[5,6]H)(C[5]N[5]O)(O)	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(H)	C[5](N[5]C[5,6]H)(C[5]N[5]O)(O)	C[5](N[5]C[5,6]H)(C[5]N[5]O)(O){1|H<1>,2|C<4>}	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](N[5]C[5,6]H)(C[5]N[5]O)(O){1|H<1>,2|C<4>}	105.6040	0.926	4	105.6040	0.858	4	105.6040	0.858	4	106.6654	2.353	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)(N[5]C[5]H)(O)	N[5](C[5]C[5]CO)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(OS)	C[5](C[5]C[5]O)(N[5]C[5]H)(O){1|O<2>,2|C<4>}	N[5](C[5]C[5]CO)(C[5]C[5]O)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(C[5]N[5]O)(OS){1|C<4>,1|H<1>,1|O<2>}	105.1440	0.000	1	105.1440	0.000	1	105.1440	0.000	1	104.4945	0.844	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(O)	N[5](C[5]N[5]CC)(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(O){2|C<3>,2|C<4>}	N[5](C[5]N[5]CC)(C[5]C[5]O)(H){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	103.8450	0.000	1	103.8450	0.000	1	103.8450	0.000	1	104.4945	0.844	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(N[5]C[5,6]H)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5](C[5,6]C[5,6]N[6])(C[5]N[5]O)(CCO)	C[5](C[5]C[5,6]C)(N[5]C[5,6]H)(O){1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]C[5,6]N[6])(C[5]N[5]O)(CCO){2|H<1>,3|C<4>}	109.0845	0.433	2	109.0845	0.188	2	109.0845	0.188	2	107.7900	2.113	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5,6]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5,6]H)(O){1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	107.1740	0.000	1	107.1740	0.000	1	107.1740	0.000	1	107.7900	2.113	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCO)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCO){1|C<3>,2|H<1>}	105.5010	0.000	1	105.5010	0.000	1	107.8935	3.182	6	107.7900	2.113	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCN)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CCN){1|C<4>,2|H<1>}	108.0110	0.000	1	108.0110	0.000	1	107.8935	3.182	6	107.7900	2.113	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O){1|C<4>,2|H<1>}	109.3207	0.137	3	109.3207	0.019	3	107.8935	3.182	6	107.7900	2.113	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]CO)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6]O)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CO)(C[5]C[5]O)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6]O){1|C<4>,1|H<1>,1|O<2>}	105.8870	0.000	1	105.8870	0.000	1	107.8935	3.182	6	107.7900	2.113	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,2|O<2>,3|C<3>}	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	107.7900	2.113	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[5,5,6]-4:C[5]-3:H-1:	N[5,6]-3:C[5]-3:C-3:	C[5](N[5]C[5,5,6]H)(C[5]N[5,6]C)(O)	N[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5]C[5]O)(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5]O)(CC[5a]H)	C[5](N[5]C[5,5,6]H)(C[5]N[5,6]C)(O){1|C<3>,1|C<4>,1|N<3>}	N[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5]C[5]O)(H){1|C<4>,1|O<2>,5|C<3>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5]O)(CC[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	107.3880	0.000	1	107.3880	0.000	1	107.3880	0.000	1	107.7900	2.113	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:3:	N[5]-3:C[5]-3:S-1:	C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5,5]H)(C[5]C[5]C)(S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H)	C[5](C[5]C[5,5]C[6a])(C[5]N[5]S)(CC[6a]O)	C[5](N[5]C[5,5]H)(C[5]C[5]C)(S){3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5]S)(CC[6a]O){1|H<1>,4|C<3>}	106.0680	0.000	1	106.0680	0.000	1	106.0680	0.000	1	107.7900	2.113	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]CO)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<2>}	N[5](C[5]C[5]CO)(C[5]C[5]O)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHO){1|C<3>,1|H<1>,1|O<2>}	107.0390	0.000	1	107.0390	0.000	1	107.3755	0.226	2	107.0220	0.488	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){3|H<1>}	107.7120	0.000	1	107.7120	0.000	1	107.3755	0.226	2	107.0220	0.488	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:3:4:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]H)(C[5]C[5]C)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(CH3)	C[5](N[5]C[5,6]H)(C[5]C[5]C)(O){1|H<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	107.0220	0.488	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:4:3:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]H)	C[5](C[5]C[5]2)(N[5]C[5]H)(H){1|H<1>,1|N<2>,4|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]H){1|H<1>,1|S<4>,6|C<3>}	112.7950	0.000	1	112.7950	0.000	1	112.7950	0.000	1	109.4467	8.409	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	3:4:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[5]2)(N[5]C[5]H)(O){1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	107.7725	0.030	2	107.7725	0.001	2	107.7725	0.001	2	109.4467	8.409	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]H)(CC[6a]O)	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(H){1|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]H)(CC[6a]O){1|H<1>,4|C<3>}	113.7000	0.000	1	113.7000	0.000	1	113.7000	0.000	1	110.0566	7.419	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]O)	C[5](C[5]C[5]C)(N[5]C[5]H)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	113.8920	0.000	1	113.8920	0.000	1	113.2973	0.403	3	110.0566	7.419	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]H){3|H<1>}	113.0000	0.525	2	113.0000	0.275	2	113.2973	0.403	3	110.0566	7.419	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]C[5]H)(H)	N[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5])(C[5]N[5]H)	C[5](C[5]C[5]2)(N[5]C[5]H)(H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5])(C[5]N[5]H){1|N<3>,1|N<4>,2|H<1>,4|C<3>}	112.7830	0.000	1	112.7830	0.000	1	112.7830	0.000	1	110.0566	7.419	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(CC[6]O)	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(O){1|H<1>,1|O<2>,2|C<4>}	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(CC[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	110.0566	7.419	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<4>,1|O<2>}	C[5](CC[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|H<1>}	108.9295	0.218	2	108.9295	0.048	2	108.9295	0.048	2	110.0566	7.419	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	107.5380	0.000	1	107.5380	0.000	1	107.8596	0.288	5	110.0566	7.419	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHH)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHH){1|C<4>,1|H<1>,3|C<3>}	107.0930	0.000	1	107.0930	0.000	1	107.8596	0.288	5	110.0566	7.419	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	108.4210	0.000	1	108.4210	0.000	1	107.8596	0.288	5	110.0566	7.419	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]H){2|C<3>,3|H<1>}	108.1870	0.000	1	108.1870	0.000	1	107.8596	0.288	5	110.0566	7.419	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,2|H<1>}	108.0590	0.000	1	108.0590	0.000	1	107.8596	0.288	5	110.0566	7.419	13	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:N[5]-3:H-1:	P-4:C[5]-3:C[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]P)(H)	N[5](PN[5a]N[5]Fe)(C[5]C[5]H)(C[5]C[5])	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]P)(H){1|H<1>}	N[5](PN[5a]N[5]Fe)(C[5]C[5]H)(C[5]C[5]){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|P<4>}	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	111.3586	7.809	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:N-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]N)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(NW)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]N)(O){3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(NW){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|N<2>,2|H<1>}	103.7590	0.000	1	103.7590	0.000	1	103.7590	0.000	1	111.3586	7.809	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:P[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5])	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5]){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H){1|C<3>,1|H<1>,2|C<4>}	111.3550	0.305	2	111.3550	0.093	2	111.3439	1.383	10	111.3586	7.809	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:P[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5])	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H){1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5]){3|C<4>,5|H<1>}	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H){1|H<1>,3|C<4>}	111.3411	1.329	8	111.3411	1.765	8	111.3439	1.383	10	111.3586	7.809	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:Se[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Se[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5])	C[5](N[5]Se[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]Se[5]C[6])(C[5]N[5]H)(H){1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5]){3|C<4>,5|H<1>}	C[5](N[5]Se[5]C[6])(C[5]N[5]H)(H){1|H<1>,3|C<4>}	114.1928	0.799	4	114.1928	0.638	4	114.1928	0.638	4	111.3586	7.809	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	3:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](C[5]C[6]N[5])(N[5]C[5]N[5])(H)	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H)	C[5](C[5]C[6]N[5])(N[5]C[5]N[5])(H){1|Fe<10>,1|Fe<6>,1|C<3>,1|N<3>,2|C<4>}	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5]){1|Fe<6>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	104.4230	0.000	1	104.4230	0.000	1	104.4230	0.000	1	106.0007	4.394	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]O)(O)	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(OC){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,2|O<2>,3|C<3>}	104.8150	0.000	1	104.8150	0.000	1	104.8150	0.000	1	106.0007	4.394	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	3:3:3:	N[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:N[5]-2:	C[6]-3:N[5]-3:C[5]-3:	C[5](N[5]C[3x6]N[5])(C[5]C[6]N[5])(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[5](N[5]C[3x6]N[5])(C[5]C[6]N[5])(H){1|Pt<4>,1|C<3>,1|N<3>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]){1|Pt<4>,1|C<3>,3|C<4>,6|H<1>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	105.6245	1.109	4	105.6245	1.229	4	105.6245	1.229	4	106.0007	4.394	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6]-4:C[5]-3:Se[5]-2:	C[5]-3:C[5]-3:N-3:	C[5](N[5]Se[5]C[6])(C[5]C[5]N)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(Se[5]C[5])	C[5](C[5]Se[5]C)(C[5]N[5]O)(NC[6a]H)	C[5](N[5]Se[5]C[6])(C[5]C[5]N)(O){1|C<3>,1|H<1>,2|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(Se[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]Se[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>}	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	106.0007	4.394	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[5]N[5])(C[5]N[5]C)(H)	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]HH)	C[5](N[5]C[5]N[5])(C[5]N[5]C)(H){1|Fe<10>,3|C<4>}	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5]){2|H<1>,4|C<4>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]HH){1|C<4>}	105.1010	0.000	1	105.1010	0.000	1	105.1010	0.000	1	104.8867	0.087	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5])	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN)	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]){1|Co<6>,3|C<4>,4|H<1>}	C[5](N[5]N[5]Co)(C[5]N[5]H)(CHHN){1|C<4>}	104.7795	0.323	2	104.7795	0.104	2	104.7795	0.104	2	104.8867	0.087	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-2:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]N[5])(H)	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5])	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]N[5])(H){2|Fe<10>,5|C<4>}	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5]){2|H<1>,4|C<4>}	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]C){2|H<1>,3|C<4>}	105.6160	0.000	1	105.6160	0.000	1	105.6160	0.000	1	105.6160	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	2:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-2:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]N[5]H)(O)	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6])(C[5]N[5]O)(H)	C[5](N[5]C[5,6]C[6a])(C[5]N[5]H)(O){1|C<4>,3|C<3>}	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	C[5](N[5]C[5,6])(C[5]N[5]O)(H){1|C<4>,2|C<3>}	103.2970	0.190	2	103.2970	0.036	2	103.2970	0.036	2	103.2970	0.036	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	2:3:3:	N[5]-3:C[5]-3:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:	S[5]-2:C[5]-3:C-3:	C[5](N[5]C[5,5]C[6a])(C[5]S[5]C)(O)	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](S[5]C[5,5])(C[5]N[5]O)(CC[6a]H)	C[5](N[5]C[5,5]C[6a])(C[5]S[5]C)(O){1|N<3>,1|S<2>,2|C<3>}	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|H<1>,5|C<3>}	C[5](S[5]C[5,5])(C[5]N[5]O)(CC[6a]H){1|C<3>,1|N<3>,1|S<2>}	111.0500	0.000	1	111.0500	0.000	1	111.0500	0.000	1	111.0500	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:2:1:	C[5]-3:N[5]-3:H-1:	P-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-2:H-1:	C[5](C[5]C[5]H)(N[5]C[5]P)(H)	N[5](PN[5a]N[5]Fe)(C[5]C[5]H)2	C[5](C[5]N[5]H)(C[5]C[5])(H)	C[5](C[5]C[5]H)(N[5]C[5]P)(H){1|H<1>}	N[5](PN[5a]N[5]Fe)(C[5]C[5]H)2{1|H<1>}	C[5](C[5]N[5]H)(C[5]C[5])(H){1|H<1>,1|P<4>}	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:Br-1:	B-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]B)(Br)	N[5](BN[5a]N[5]H)(C[5]C[5]Br)(N[5]C[5]Pd)	C[5](C[5]N[5]Br)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(Br){1|Br<1>,1|Pd<5>}	N[5](BN[5a]N[5]H)(C[5]C[5]Br)(N[5]C[5]Pd){2|Br<1>}	C[5](C[5]N[5]Br)2(Br){1|Pd<5>,1|B<4>}	109.4240	0.998	2	109.4240	0.997	2	109.4240	0.997	2	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6]N[5]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	N[5](BC[6]N[5]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	108.4477	0.136	3	108.4477	0.019	3	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]2N[5])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	N[5](BC[6a]2N[5])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	108.8380	0.000	1	108.8380	0.000	1	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]2N[5])(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<4>,1|C<4>}	N[5](BC[6a]2N[5])(C[5]N[5]Fe)(C[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|B<4>}	108.1183	0.134	4	108.1288	0.013	6	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]2N[5])(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<5>,1|C<4>}	N[5](BC[6a]2N[5])(C[5]N[5]Fe)(C[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<5>,1|B<4>}	108.1500	0.103	2	108.1288	0.013	6	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]C[5]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	N[5](BC[6a]C[5]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	109.3350	0.000	1	109.3350	0.000	1	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]C[5]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Rh<6>,1|C<4>}	N[5](BC[6a]C[5]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|B<4>}	108.0100	0.000	1	108.0100	0.000	1	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]N[5]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](BC[6a]N[5]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.9053	0.271	6	108.9053	0.073	6	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]N[5]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<4>,1|C<4>}	N[5](BC[6a]N[5]2)(C[5]N[5]Fe)(C[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Fe<4>,1|B<4>}	107.8553	0.337	6	107.8553	0.114	6	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]N[5]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ni<4>,1|C<4>}	N[5](BC[6a]N[5]2)(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|B<4>}	108.0403	0.187	3	108.0403	0.035	3	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BN[5]2N[6])(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](BN[5]2N[6])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.3133	0.354	3	108.3133	0.125	3	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BN[5]N[6]Pt)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<1>}	N[5](BN[5]N[6]Pt)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<1>}	108.4700	0.000	1	108.0955	0.281	2	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BN[5]N[6]Pt)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](BN[5]N[6]Pt)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	107.7210	0.000	1	108.0955	0.281	2	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BN[5a]N[5]H)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<1>}	N[5](BN[5a]N[5]H)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<1>}	108.8940	0.454	2	108.5439	0.266	10	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BN[5a]N[5]H)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](BN[5a]N[5]H)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.4564	0.518	8	108.5439	0.266	10	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BN[5a]N[5]Ir)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](BN[5a]N[5]Ir)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.0615	0.059	4	108.0615	0.003	4	108.3435	0.225	46	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]C[5]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<3>,1|H<1>}	N[5](BC[6a]C[5]2)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|B<4>,1|H<1>,2|C<3>}	108.7710	0.000	1	108.7710	0.000	1	108.0335	0.088	45	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]C[5]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ir<4>,1|C<3>}	N[5](BC[6a]C[5]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<4>,1|B<4>,2|C<3>}	108.2920	0.000	1	107.9645	0.070	4	108.0335	0.088	45	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]C[5]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ir<5>,1|C<3>}	N[5](BC[6a]C[5]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<5>,1|B<4>,2|C<3>}	107.7250	0.000	1	107.9645	0.070	4	108.0335	0.088	45	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]C[5]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Ir<6>,1|C<3>}	N[5](BC[6a]C[5]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|B<4>,2|C<3>}	107.9205	0.204	2	107.9645	0.070	4	108.0335	0.088	45	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]C[5]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Rh<4>,1|C<3>}	N[5](BC[6a]C[5]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<4>,1|B<4>,2|C<3>}	107.6660	0.000	1	108.0060	0.231	2	108.0335	0.088	45	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]C[5]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Rh<6>,1|C<3>}	N[5](BC[6a]C[5]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|B<4>,2|C<3>}	108.3460	0.000	1	108.0060	0.231	2	108.0335	0.088	45	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]C[5]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Zn<4>,1|C<3>}	N[5](BC[6a]C[5]2)(C[5]N[5]Zn)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<4>,1|B<4>,2|C<3>}	107.6905	0.022	2	107.6905	0.000	2	108.0335	0.088	45	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]N[5]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<4>,1|C<3>}	N[5](BC[6a]N[5]2)(C[5]N[5]Fe)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<4>,1|B<4>,2|C<3>}	108.1156	0.280	15	108.0275	0.102	21	108.0335	0.088	45	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]N[5]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<6>,1|C<3>}	N[5](BC[6a]N[5]2)(C[5]N[5]Fe)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<6>,1|B<4>,2|C<3>}	107.8300	0.495	3	108.0275	0.102	21	108.0335	0.088	45	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]N[5]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Fe<8>,1|C<3>}	N[5](BC[6a]N[5]2)(C[5]N[5]Fe)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,1|B<4>,2|C<3>}	107.7847	0.136	3	108.0275	0.102	21	108.0335	0.088	45	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]N[5]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Mn<4>,1|C<3>}	N[5](BC[6a]N[5]2)(C[5]N[5]Mn)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<4>,1|B<4>,2|C<3>}	108.0883	0.189	12	108.0605	0.043	15	108.0335	0.088	45	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]N[5]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|Mn<6>,1|C<3>}	N[5](BC[6a]N[5]2)(C[5]N[5]Mn)(C[5]C[5]H){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Mn<6>,1|B<4>,2|C<3>}	107.9497	0.282	3	108.0605	0.043	15	108.0335	0.088	45	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]N[5a]2)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|C<4>,1|H<1>}	N[5](BC[6a]N[5a]2)(C[5]C[5]H)(N[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|B<4>,1|H<1>}	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5]C[5]I)(N[5]N[5]B)(H)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B)	C[5](C[5]N[5]H)2(I)	C[5](C[5]C[5]I)(N[5]N[5]B)(H){1|B<4>,1|H<1>}	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	C[5](C[5]N[5]H)2(I){2|B<4>}	109.4272	1.651	5	109.4272	2.724	5	109.5956	2.748	7	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5]C[5]I)(N[5]N[5]B)(H)	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]N[5]H)2(I)	C[5](C[5]C[5]I)(N[5]N[5]B)(H){2|H<1>}	N[5](BC[5]N[5]H)(C[5]C[5]H)(N[5]C[5]H){1|H<1>,1|I<1>}	C[5](C[5]N[5]H)2(I){1|B<4>,1|H<1>}	111.6130	0.000	1	111.6130	0.000	1	109.5956	2.748	7	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5]C[5]I)(N[5]N[5]B)(H)	N[5](BN[5a]C[5]H)(C[5]C[5]H)(N[5]C[5]B)	C[5](C[5]N[5]H)2(I)	C[5](C[5]C[5]I)(N[5]N[5]B)(H){1|B<4>,1|H<1>}	N[5](BN[5a]C[5]H)(C[5]C[5]H)(N[5]C[5]B){1|H<1>,1|I<1>}	C[5](C[5]N[5]H)2(I){2|B<4>}	108.4200	0.000	1	108.4200	0.000	1	109.5956	2.748	7	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]B)(H)	N[5](BN[5a]N[5]H)(N[5]C[5]Cr)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(H){1|Cr<5>,1|C<4>}	N[5](BN[5a]N[5]H)(N[5]C[5]Cr)(C[5]C[5]H){1|Br<1>,1|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Cr<5>,1|B<4>}	107.6020	0.392	2	107.6020	0.153	2	107.6020	0.153	2	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[5]N[5]2)(N[5]C[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mn<6>,1|H<1>}	N[5](BC[5]N[5]2)(N[5]C[5]Mn)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|B<4>}	109.0317	0.573	6	109.0317	0.329	6	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[5]N[5]2)(N[5]C[5]Mo)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mo<8>,1|H<1>}	N[5](BC[5]N[5]2)(N[5]C[5]Mo)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mo<8>,1|B<4>}	109.2293	0.186	3	109.2293	0.035	3	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[5]N[5]2)(N[5]C[5]Zn)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Zn<6>,1|H<1>}	N[5](BC[5]N[5]2)(N[5]C[5]Zn)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Zn<6>,1|B<4>}	108.8057	0.193	3	108.8057	0.037	3	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6,6]N[5]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<9>,1|H<1>}	N[5](BC[6,6]N[5]2)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|B<4>}	109.1413	0.474	3	109.1413	0.225	3	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6]N[5]C)(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<5>,1|H<1>}	N[5](BC[6]N[5]C)(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<5>,1|B<4>}	109.7055	0.919	2	109.7055	0.844	2	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]2N[5])(N[5]C[5]Co)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<5>,1|H<1>}	N[5](BC[6a]2N[5])(N[5]C[5]Co)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<5>,1|B<4>}	109.4065	0.168	2	109.4065	0.028	2	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]2N[5])(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<4>,1|H<1>}	N[5](BC[6a]2N[5])(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|B<4>}	109.0790	0.184	5	109.0790	0.034	5	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]2N[5])(N[5]C[5]Pt)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Pt<4>,1|H<1>}	N[5](BC[6a]2N[5])(N[5]C[5]Pt)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pt<4>,1|B<4>}	109.0452	0.454	8	109.0452	0.206	8	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]2N[5])(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<9>,1|H<1>}	N[5](BC[6a]2N[5])(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|B<4>}	109.4330	0.016	2	109.4330	0.000	2	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]C[6]N[5])(N[5]C[5]Co)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Co<6>,1|H<1>}	N[5](BC[6a]C[6]N[5])(N[5]C[5]Co)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<6>,1|B<4>}	108.8450	0.124	4	108.8450	0.015	4	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]C[6]N[5])(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<5>,1|H<1>}	N[5](BC[6a]C[6]N[5])(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<5>,1|B<4>}	109.1845	0.107	4	109.0260	0.104	28	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]C[6]N[5])(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|H<1>}	N[5](BC[6a]C[6]N[5])(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|B<4>}	108.9996	0.340	24	109.0260	0.104	28	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]C[6]N[5])(N[5]C[5]Li)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Li<4>,1|H<1>}	N[5](BC[6a]C[6]N[5])(N[5]C[5]Li)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Li<4>,1|B<4>}	108.5957	0.053	3	108.5957	0.003	3	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]C[6]N[5])(N[5]C[5]Sc)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Sc<8>,1|H<1>}	N[5](BC[6a]C[6]N[5])(N[5]C[5]Sc)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Sc<8>,1|B<4>}	109.9840	0.645	4	109.9840	0.416	4	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]N[5]2)(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|C<4>}	N[5](BC[6a]N[5]2)(N[5]C[5]Fe)(C[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|B<4>}	108.8642	0.424	33	108.8642	0.180	33	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]N[5]2)(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|H<1>}	N[5](BC[6a]N[5]2)(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|B<4>}	108.7243	1.158	9	108.7243	1.342	9	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]N[5]2)(N[5]C[5]Li)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Li<3>,1|C<4>}	N[5](BC[6a]N[5]2)(N[5]C[5]Li)(C[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Li<3>,1|B<4>}	108.8547	0.035	3	108.8547	0.001	3	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]N[5]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<6>,1|H<1>}	N[5](BC[6a]N[5]2)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|B<4>}	109.0013	0.268	3	109.0013	0.072	3	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]N[5]C)(N[5]C[5]Li)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Li<4>,1|H<1>}	N[5](BC[6a]N[5]C)(N[5]C[5]Li)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Li<4>,1|B<4>}	109.0545	0.115	2	109.0545	0.013	2	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BN[5a]2N[5])(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<4>,1|H<1>}	N[5](BN[5a]2N[5])(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|B<4>}	109.4690	0.264	2	109.4690	0.070	2	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BN[5a]2N[5])(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<6>,1|H<1>}	N[5](BN[5a]2N[5])(N[5]C[5]Ir)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|B<4>}	108.9930	0.420	2	108.9930	0.176	2	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BN[5a]2N[5])(N[5]C[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<6>,1|H<1>}	N[5](BN[5a]2N[5])(N[5]C[5]Re)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|B<4>}	109.5619	1.417	14	109.5619	2.008	14	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BN[5a]N[5]2)(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Fe<6>,1|H<1>}	N[5](BN[5a]N[5]2)(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|B<4>}	108.7721	0.320	9	108.7721	0.102	9	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BN[5a]N[5]2)(N[5]C[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Mn<6>,1|H<1>}	N[5](BN[5a]N[5]2)(N[5]C[5]Mn)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|B<4>}	108.5033	0.049	3	108.5033	0.002	3	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BN[5a]N[5]2)(N[5]C[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<6>,1|H<1>}	N[5](BN[5a]N[5]2)(N[5]C[5]Re)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|B<4>}	109.0778	1.037	6	109.0778	1.075	6	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BN[5a]N[5]H)(N[5]C[5]Be)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Be<4>,1|H<1>}	N[5](BN[5a]N[5]H)(N[5]C[5]Be)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Be<4>,1|B<4>}	109.2045	0.148	2	109.2045	0.022	2	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BN[5a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Re<6>,1|H<1>}	N[5](BN[5a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|B<4>}	109.3510	0.000	1	109.3510	0.000	1	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Rh<4>,1|H<1>}	N[5](BN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Rh<4>,1|B<4>}	108.8610	0.161	2	108.8610	0.026	2	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BN[5a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ru<9>,1|H<1>}	N[5](BN[5a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|B<4>}	108.7050	0.180	2	108.7050	0.032	2	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BN[5a]N[5]H)(N[5]C[5]Ti)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ti<6>,1|H<1>}	N[5](BN[5a]N[5]H)(N[5]C[5]Ti)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ti<6>,1|B<4>}	109.4417	0.653	4	109.4417	0.427	4	109.0441	0.439	170	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](CC[3x4,3x6]HH)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](CC[3x4,3x6]HH)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.9250	0.000	1	106.9250	0.000	1	106.4099	0.135	14	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](CC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](CC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.4555	0.348	6	106.4555	0.121	6	106.4099	0.135	14	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](CC[6a]N[5]H)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	N[5](CC[6a]N[5]H)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	106.2175	0.361	2	106.2175	0.131	2	106.4099	0.135	14	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](CC[6a]N[5]H)(C[5]N[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	N[5](CC[6a]N[5]H)(C[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<6>,1|C<4>}	106.3292	0.399	5	106.3292	0.159	5	106.4099	0.135	14	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5a]H)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){2|H<1>}	N[5](CC[6a]N[5a]H)(C[5]C[5]H)(N[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|C<4>,1|H<1>}	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|C<4>}	106.8487	0.651	4	106.8487	0.424	4	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6]N[5]C)(N[5]C[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	N[5](CC[6]N[5]C)(N[5]C[5]Pd)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<4>}	107.6535	0.163	2	107.6535	0.027	2	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Co<6>,1|H<1>}	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<6>,1|C<4>}	106.6753	0.090	4	106.6753	0.008	4	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|H<1>}	N[5](CC[6]N[5]H)(N[5]C[5]Fe)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|C<4>}	106.8204	0.819	8	106.8204	0.671	8	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6]N[5]H)(N[5]C[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|H<1>}	N[5](CC[6]N[5]H)(N[5]C[5]Mn)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|C<4>}	106.4795	1.797	4	106.4795	3.229	4	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]2N[5])(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	N[5](CC[6a]2N[5])(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|C<4>}	107.8825	0.217	2	107.8825	0.047	2	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]C[6]N[5])(N[5]C[5]Cr)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cr<6>,1|H<1>}	N[5](CC[6a]C[6]N[5])(N[5]C[5]Cr)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cr<6>,1|C<4>}	106.7310	1.061	2	106.7310	1.125	2	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|H<1>}	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|C<4>}	106.6950	0.485	2	107.2623	0.252	18	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<5>,1|H<1>}	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<5>,1|C<4>}	107.3332	0.471	16	107.2623	0.252	18	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ir<6>,1|H<1>}	N[5](CC[6a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ir<6>,1|C<4>}	107.7100	0.430	2	107.7100	0.185	2	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pd<4>,1|H<1>}	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pd<4>,1|C<4>}	106.7680	0.822	4	106.7680	0.676	4	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	N[5](CC[6a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<4>}	107.3622	0.551	15	107.3622	0.304	15	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<9>,1|H<1>}	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|C<4>}	107.8755	0.250	2	107.8755	0.062	2	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CC[6a]N[5]H)(N[5]C[5]Zn)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Zn<4>,1|H<1>}	N[5](CC[6a]N[5]H)(N[5]C[5]Zn)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Zn<4>,1|C<4>}	107.3445	0.289	2	107.3445	0.084	2	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]C[6]2)(N[5]C[5]Cr)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cr<6>,1|H<1>}	N[5](CN[5a]C[6]2)(N[5]C[5]Cr)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cr<6>,1|C<4>}	107.4210	0.000	1	107.4210	0.000	1	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]C)(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<6>,1|H<1>}	N[5](CN[5a]N[5]C)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<6>,1|C<4>}	107.2840	0.324	2	107.2840	0.105	2	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Cu<4>,1|H<1>}	N[5](CN[5a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|C<4>}	107.2955	0.226	2	107.2955	0.051	2	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Pt)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Pt<4>,1|H<1>}	N[5](CN[5a]N[5]H)(N[5]C[5]Pt)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Pt<4>,1|C<4>}	107.0034	0.235	7	107.0034	0.055	7	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Re<6>,1|H<1>}	N[5](CN[5a]N[5]H)(N[5]C[5]Re)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Re<6>,1|C<4>}	107.8982	0.670	4	107.8982	0.450	4	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]P)(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Ru<8>,1|H<1>}	N[5](CN[5a]N[5]P)(N[5]C[5]Ru)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<8>,1|C<4>}	106.4825	0.117	2	106.4825	0.014	2	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]S)(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Fe<6>,1|C<4>}	N[5](CN[5a]N[5]S)(N[5]C[5]Fe)(C[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	107.3615	0.276	2	107.3615	0.076	2	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(H)	N[5](CN[5a]N[5]S)(N[5]C[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(H){1|Mn<6>,1|C<4>}	N[5](CN[5a]N[5]S)(N[5]C[5]Mn)(C[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mn<6>,1|C<4>}	107.7195	0.019	2	107.7195	0.000	2	107.1815	0.476	91	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	N[5](C[5,5]N[5,5]C[6a]Ge[5])(C[5]C[5]H)(CC[6a]N)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){1|Ge<3>,2|C<3>}	N[5](C[5,5]N[5,5]C[6a]Ge[5])(C[5]C[5]H)(CC[6a]N){1|H<1>,1|I<1>,1|N<3>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){1|Ge<3>,1|N<3>,3|C<3>}	111.0030	0.013	2	111.0030	0.000	2	111.0030	0.000	2	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5]Ge)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ge<2>,2|C<3>}	N[5](C[5]C[6a]N[5]Ge)(C[5]C[5]H)(CC[6a]N){1|H<1>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ge<2>,2|C<3>}	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){2|H<1>,3|C<4>}	N[5](C[5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]H){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.2941	0.512	8	107.2941	0.262	8	107.1339	0.199	17	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]2C)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Pd<4>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]2C)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Pd<4>,2|C<3>,2|C<4>}	107.4900	0.148	2	107.4900	0.022	2	107.1339	0.199	17	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5]2C)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){2|H<1>,3|C<4>}	N[5](C[5]C[5]2C)(C[5]C[5]H)(C[5]N[5]H){2|C<4>,6|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	106.8900	0.000	1	106.8900	0.000	1	107.1339	0.199	17	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Fe<10>,1|H<1>,3|C<4>}	N[5](C[5]C[5]2Fe)(C[5]C[5]H)(C[5]N[5]H){3|C<4>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.8647	0.063	3	106.8647	0.004	3	107.1339	0.199	17	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5]2Fe)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Fe<10>,1|Ir<6>,3|C<4>}	N[5](C[5]C[5]2Fe)(C[5]N[5]Ir)(C[5]C[5]H){3|C<4>,3|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Fe<10>,1|Ir<6>,3|C<4>}	106.6245	0.230	2	106.6245	0.053	2	107.1339	0.199	17	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){2|H<1>,3|C<4>}	N[5](C[5]C[5]2H)(C[5]C[5]H)(C[5]N[5]H){3|C<4>,5|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.2110	0.000	1	107.2110	0.000	1	107.1339	0.199	17	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]2C)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Pd<4>,1|C<4>,3|C<3>}	N[5](C[5]C[5,6a]2C)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,2|C<3>}	107.9660	0.273	3	107.9660	0.075	3	107.5602	0.418	5	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]2H)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|Rh<6>,1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]2H)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Rh<6>,1|C<4>,2|C<3>}	106.5710	0.000	1	106.5710	0.000	1	107.5602	0.418	5	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.3320	0.000	1	107.3320	0.000	1	107.5602	0.418	5	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCO){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,2|C<4>}	106.3685	0.334	2	106.3685	0.112	2	105.6259	0.355	20	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO){1|H<1>,1|O<2>}	C[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	107.1110	0.000	1	107.1110	0.000	1	105.6259	0.355	20	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	105.4723	0.401	12	105.4723	0.161	12	105.6259	0.355	20	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	105.8235	0.053	2	105.8235	0.003	2	105.6259	0.355	20	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]C[6]H)(C[5]C[5]O)(COO)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,2|H<1>}	N[5](C[5]C[5]C[6]H)(C[5]C[5]O)(COO){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	104.8640	0.160	2	104.8640	0.026	2	105.6259	0.355	20	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|O<2>,2|H<1>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CCO){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>}	105.6270	0.000	1	105.6270	0.000	1	105.6259	0.355	20	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[5]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H)	N[5](B[5]N[5,5]C[6a]O[5])(N[5]C[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	N[5](B[5]N[5,5]C[6a]O[5])(N[5]C[5]Fe)(C[5]C[5]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)2(H){1|Fe<6>,1|B<4>}	109.3425	0.657	2	109.3425	0.432	2	108.5734	0.236	14	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[5]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H)	N[5](B[5]N[5,5]C[6a]O[5])(N[5]C[5]Mg)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H){1|Mg<6>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	N[5](B[5]N[5,5]C[6a]O[5])(N[5]C[5]Mg)(C[5]C[5]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)2(H){1|Mg<6>,1|B<4>}	108.6465	0.243	2	108.6465	0.059	2	108.5734	0.236	14	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[5]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H)	N[5](B[5]N[5,5]C[6a]O[5])(N[5]C[5]Mn)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	N[5](B[5]N[5,5]C[6a]O[5])(N[5]C[5]Mn)(C[5]C[5]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)2(H){1|Mn<6>,1|B<4>}	108.3605	0.333	2	108.3605	0.111	2	108.5734	0.236	14	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[5]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H)	N[5](B[5]N[5,5]C[6a]O[5])(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H){1|Ru<8>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	N[5](B[5]N[5,5]C[6a]O[5])(N[5]C[5]Ru)(C[5]C[5]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)2(H){1|Ru<8>,1|B<4>}	108.3907	0.436	6	108.4160	0.140	8	108.5734	0.236	14	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[5]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H)	N[5](B[5]N[5,5]C[6a]O[5])(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5]N[5])(C[5]C[5]H)(H){1|Ru<9>,1|C<3>,1|H<1>,1|N<3>,1|O<3>}	N[5](B[5]N[5,5]C[6a]O[5])(N[5]C[5]Ru)(C[5]C[5]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|B<4>}	108.4920	0.113	2	108.4160	0.140	8	108.5734	0.236	14	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[5a]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H)	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[5](B[5a]C[6a]O[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	108.3055	0.459	6	108.3055	0.211	6	108.2231	0.171	10	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[5a]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H)	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|S<1>,2|N<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<1>}	108.4025	0.088	2	108.0995	0.127	4	108.2231	0.171	10	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[5a]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H)	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]B[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|S<2>,2|N<3>}	N[5](B[5a]N[5a,5a]C[5a]N[5])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	107.7965	0.084	2	108.0995	0.127	4	108.2231	0.171	10	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[5a]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Co)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H){1|Co<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Co)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]N[5]H)2(H){1|Co<4>,1|B<4>}	109.4430	0.091	2	109.4430	0.008	2	109.0126	0.177	10	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[5a]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Li)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H){1|Li<4>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Li)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)2(H){1|Li<4>,1|B<4>}	109.0718	0.281	4	109.0718	0.079	4	109.0126	0.177	10	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[5a]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H){1|Mg<5>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)2(H){1|Mg<5>,1|B<4>}	108.5565	0.525	2	108.7382	0.221	4	109.0126	0.177	10	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[5a]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H)	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[5a]N[5])(C[5]C[5]H)(H){1|Mg<6>,1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5](B[5a]N[5,5a]C[6a]N[5a])(N[5]C[5]Mg)(C[5]C[5]H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5]H)2(H){1|Mg<6>,1|B<4>}	108.9200	0.503	2	108.7382	0.221	4	109.0126	0.177	10	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[6,6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<3>,3|C<4>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	108.3681	0.878	7	108.3681	0.770	7	108.4469	0.710	8	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[6,6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H){1|N<3>,1|S<2>,3|C<4>}	N[5](B[6,6]C[6,6]2N[5])(C[5]C[5]H)(C[5]N[5]S){2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|S<2>}	108.9980	0.000	1	108.9980	0.000	1	108.4469	0.710	8	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<4>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Cu)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|B<4>}	109.1580	0.214	2	109.1580	0.046	2	109.3141	0.055	12	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H){1|Ni<4>,1|N<3>,3|C<4>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>,5|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<4>,1|B<4>}	109.3295	0.087	2	109.3137	0.060	7	109.3141	0.055	12	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H){1|Ni<5>,1|N<3>,3|C<4>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|H<2>,1|N<3>,2|H<1>,5|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	109.5980	0.000	1	109.3137	0.060	7	109.3141	0.055	12	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H){1|Ni<5>,1|N<3>,3|C<4>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>,5|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	109.2348	0.286	4	109.3137	0.060	7	109.3141	0.055	12	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<4>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5](C[5]N[5]H)2(H){1|Ni<4>,1|B<4>}	109.2780	0.044	2	109.2780	0.002	2	109.3141	0.055	12	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[6,6]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H)	N[5](B[6,6]C[6,6]2O)(N[5]C[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(H){1|Ni<5>,1|O<3>,3|C<4>}	N[5](B[6,6]C[6,6]2O)(N[5]C[5]Ni)(C[5]C[5]H){3|H<1>,5|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	109.7010	0.000	1	109.7010	0.000	1	109.3141	0.055	12	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]B[6]C[5])(C[5]N[5]H)(H)	N[5](B[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]B[6]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](B[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	108.5570	0.214	4	108.5570	0.046	4	108.5570	0.046	4	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[6]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[6]N[5])(C[5]C[5]H)(H)	N[5](B[6]C[6a]O[6]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[6]N[5])(C[5]C[5]H)(H){1|Ru<9>,1|C<3>,1|H<1>,1|O<2>,1|O<3>}	N[5](B[6]C[6a]O[6]2)(N[5]C[5]Ru)(C[5]C[5]H){1|B<3>,1|B<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)2(H){1|Ru<9>,1|B<4>}	108.8710	0.399	2	108.8710	0.159	2	108.8710	0.159	2	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[6a]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[6a]N[5])(C[5]C[5]H)(H)	N[5](B[6a]C[6a]O[6a]2)(C[5]C[5]H)(N[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](N[5]B[6a]N[5])(C[5]C[5]H)(H){1|C<3>,2|H<1>,2|O<2>}	N[5](B[6a]C[6a]O[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|B<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)2(H){1|B<4>,1|H<1>}	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|H<1>,4|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){4|C<4>,7|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.5130	0.195	2	107.5130	0.038	2	107.6053	0.099	12	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|B<4>,1|S<2>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,3|C<4>,7|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	107.6238	0.338	10	107.6238	0.114	10	107.6053	0.099	12	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,3|C<4>,7|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.8490	0.078	2	107.8490	0.006	2	107.4485	0.684	27	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Co)(C[5]C[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Co<2>,4|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Co)(C[5]C[5]H){4|C<4>,7|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Co<2>,4|C<4>}	107.0120	0.000	1	107.0130	0.129	9	107.4485	0.684	27	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Co)(C[5]C[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Co<3>,4|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Co)(C[5]C[5]H){4|C<4>,7|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Co<3>,4|C<4>}	106.9353	0.420	6	107.0130	0.129	9	107.4485	0.684	27	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Co)(C[5]C[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Co<4>,4|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Co)(C[5]C[5]H){4|C<4>,7|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Co<4>,4|C<4>}	107.2465	0.071	2	107.0130	0.129	9	107.4485	0.684	27	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Cu<2>,4|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cu)(C[5]C[5]H){4|C<4>,7|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Cu<2>,4|C<4>}	106.8003	0.441	6	106.8376	0.145	8	107.4485	0.684	27	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Cu<3>,4|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cu)(C[5]C[5]H){4|C<4>,7|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Cu<3>,4|C<4>}	106.9495	0.100	2	106.8376	0.145	8	107.4485	0.684	27	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,3|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Ir)(C[5]C[5]H){1|C<3>,3|C<4>,7|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<4>,2|C<3>}	108.8935	0.370	2	108.8935	0.137	2	107.4485	0.684	27	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Se<1>,4|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H){4|C<4>,7|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Se<1>,4|C<4>}	108.1410	0.346	2	108.3010	0.410	6	107.4485	0.684	27	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Se<2>,4|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H){4|C<4>,7|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Se<2>,4|C<4>}	108.3810	0.786	4	108.3010	0.410	6	107.4485	0.684	27	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[4]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[4]C[5])(C[5]N[5]H)(H)	N[5](C[4]C[4]2C)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]C[4]C[5])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	N[5](C[4]C[4]2C)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,6|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	106.8570	0.000	1	106.8570	0.000	1	106.8570	0.000	1	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[4]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[4]C[5])(C[5]N[5]H)(H)	N[5](C[4]C[4]2H)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[4]C[5])(C[5]N[5]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[4]C[4]2H)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,1|C<4>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.2650	0.000	1	107.2650	0.000	1	107.2650	0.000	1	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]N[5]Li2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|Li<3>,1|B<4>,2|C<3>}	N[5](C[5]N[5]Li2)(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]B)(H){2|Li<3>,1|C<3>}	105.6570	0.000	1	105.6570	0.000	1	106.5030	0.544	3	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	106.9260	0.123	2	106.9260	0.015	2	106.5030	0.544	3	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]N[5]PdC)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,3|C<3>}	N[5](C[5]N[5]PdC)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	112.9470	0.000	2	112.9470	0.000	2	112.9470	0.000	2	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	107.1710	0.000	1	107.1710	0.000	1	106.7298	0.367	9	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(C[5]C[5]H){1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>}	107.3535	0.127	2	107.3535	0.016	2	106.7298	0.367	9	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|H<1>,1|O<2>,2|C<4>}	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ir)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	106.5045	0.756	2	106.5045	0.571	2	106.7298	0.367	9	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ni<4>,1|H<1>,1|O<2>,2|C<4>}	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ni)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ni<4>,1|C<4>}	106.1650	0.270	2	106.1650	0.073	2	106.7298	0.367	9	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pt<6>,1|H<1>,1|O<2>,2|C<4>}	N[5](C[6]C[6]O[6]H)(C[5]N[5]Pt)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pt<6>,1|C<4>}	106.1480	0.000	1	106.1480	0.000	1	106.7298	0.367	9	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<8>,1|H<1>,1|O<2>,2|C<4>}	N[5](C[6]C[6]O[6]H)(C[5]N[5]Rh)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Rh<8>,1|C<4>}	107.2030	0.000	1	107.2030	0.000	1	106.7298	0.367	9	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2Fe)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|Fe<7>,1|C<3>,2|C<4>}	N[5](C[6]C[6]2Fe)(C[5]N[5]Fe)(C[5]C[5]H){1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<7>,1|C<4>,2|C<3>}	106.3273	0.139	3	106.3273	0.019	3	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|B<4>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|B<4>,1|H<1>,3|C<4>}	107.0965	0.148	2	107.0965	0.022	2	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){1|C<2>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|H<1>,3|C<4>}	106.9040	0.000	1	107.4826	0.121	21	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|H<1>,3|C<4>}	107.5283	0.345	18	107.4826	0.121	21	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|H<1>,4|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|H<1>,4|C<4>}	107.3600	0.013	2	107.4826	0.121	21	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	107.3340	0.611	2	107.3340	0.373	2	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|H<1>,1|S<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|H<1>,1|S<1>,3|C<4>}	107.5370	0.112	2	107.5370	0.012	2	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Co)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Co<3>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Co)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Co<3>,1|H<1>,3|C<4>}	106.8665	0.455	6	106.8651	0.101	29	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Co)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Co<4>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Co)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Co<4>,1|H<1>,3|C<4>}	106.8647	0.286	23	106.8651	0.101	29	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Cu)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Cu<2>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Cu)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Cu<2>,1|H<1>,3|C<4>}	106.1920	0.000	1	106.1920	0.000	1	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<8>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Fe)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<8>,1|H<1>,3|C<4>}	107.1375	1.207	2	107.1375	1.457	2	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<8>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Fe)(C[5]C[5]H){1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Fe<8>,1|C<4>,2|C<3>}	106.8660	0.000	1	106.8660	0.000	1	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ni)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ni<7>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Ni)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ni<7>,1|H<1>,3|C<4>}	106.8450	0.270	2	106.8450	0.073	2	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,3|C<4>}	106.9079	0.384	8	106.9079	0.148	8	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pt<4>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Pt)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pt<4>,1|H<1>,3|C<4>}	107.1145	0.955	14	107.1192	0.798	16	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pt)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pt<5>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Pt)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pt<5>,1|H<1>,3|C<4>}	107.1525	0.342	2	107.1192	0.798	16	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<4>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<4>,1|H<1>,3|C<4>}	106.8611	0.295	8	106.9063	0.098	12	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<6>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H){2|C<4>,3|H<1>,3|O<2>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<6>,1|H<1>,3|C<4>}	106.9110	0.610	2	106.9063	0.098	12	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<6>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<6>,1|H<1>,3|C<4>}	107.0825	0.115	2	106.9063	0.098	12	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<5>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<5>,1|H<1>,3|C<4>}	106.8107	0.122	4	107.0117	0.182	16	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H){3|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,3|C<4>}	106.5465	0.080	2	107.0117	0.182	16	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,3|C<4>}	107.2053	0.466	8	107.0117	0.182	16	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<8>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<8>,1|H<1>,3|C<4>}	107.1050	0.489	2	107.0117	0.182	16	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Se<1>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Se<1>,1|H<1>,3|C<4>}	107.4805	0.128	2	107.3786	0.324	16	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Se<2>,1|H<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Se<2>,1|H<1>,3|C<4>}	107.3641	0.609	14	107.3786	0.324	16	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2Ir)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|Ir<8>,1|C<3>,2|C<4>}	N[5](C[6]C[6]2Ir)(C[5]N[5]Ir)(C[5]C[5]H){1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ir<8>,1|C<4>,2|C<3>}	105.7450	0.000	1	105.7450	0.000	1	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2Ni)(C[5]N[5]Si)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ni<8>,1|Si<4>,1|C<3>,2|C<4>}	N[5](C[6]C[6]2Ni)(C[5]N[5]Si)(C[5]C[5]H){1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Si<4>,1|C<4>,2|C<3>}	105.9690	0.000	1	105.9690	0.000	1	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2Ru)(C[5]N[5]Ru)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	N[5](C[6]C[6]2Ru)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<4>,2|C<3>}	105.4290	0.000	1	105.4290	0.000	1	107.0559	0.330	136	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H)	N[5](Ga[5,5]N[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H)	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H){2|N<3>,3|C<3>}	N[5](Ga[5,5]N[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,7|C<3>}	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H){2|N<3>,3|C<3>}	119.4705	0.640	2	119.4705	0.410	2	118.9200	1.114	3	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H)	N[5](Ga[5,5]N[5]P[5]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H)	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H){2|P<3>,3|C<3>}	N[5](Ga[5,5]N[5]P[5]2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|P<3>,5|C<3>}	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H){2|P<3>,3|C<3>}	117.8190	0.000	1	117.8190	0.000	1	118.9200	1.114	3	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](Ga[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){2|Cl<1>,3|C<3>}	N[5](Ga[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){2|Cl<1>,3|C<3>}	117.1775	0.260	2	117.1775	0.067	2	117.1775	0.067	2	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ge[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ge[5])(C[5]N[5]H)(H)	N[5](Ge[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]Ge[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ge[5])(C[5]N[5]H)(H){2|Cl<1>,3|C<3>}	N[5](Ge[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ge[5])(C[5]N[5]H)(H){2|Cl<1>,3|C<3>}	116.5340	0.000	1	116.5340	0.000	1	116.5340	0.000	1	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	In[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]In[5])(C[5]N[5]H)(H)	N[5](In[5]In[5]N[5]Cl)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]In[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]In[5])(C[5]N[5]H)(H){1|Cl<1>,1|In<4>,3|C<3>}	N[5](In[5]In[5]N[5]Cl)(C[6a]C[6a]2)(C[5]C[5]H){1|Cl<1>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5](N[5]C[6a]In[5])(C[5]N[5]H)(H){1|Cl<1>,1|In<4>,3|C<3>}	120.4100	0.076	2	120.4100	0.006	2	120.4100	0.006	2	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]N[5]FeC)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|Fe<5>,1|C<4>,3|C<3>}	N[5](P[5]N[5]FeC)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|Fe<5>,1|C<4>,3|C<3>}	113.1280	0.000	1	113.1280	0.000	1	112.4227	2.159	7	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]N[5]Pd2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){2|Pd<3>,3|C<3>}	N[5](P[5]N[5]Pd2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){2|Pd<3>,3|C<3>}	111.6280	0.441	2	111.6280	0.195	2	112.4227	2.159	7	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){2|Pt<3>,3|C<3>}	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){2|Pt<3>,3|C<3>}	112.0435	0.527	2	112.0435	0.278	2	112.4227	2.159	7	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	P[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](P[5]N[5]PtH)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|Pt<3>,1|H<1>,3|C<3>}	N[5](P[5]N[5]PtH)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|Pt<3>,1|H<1>,3|C<3>}	113.2440	3.014	2	113.2440	9.082	2	112.4227	2.159	7	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	N[5](SiC[6a]N[5]2)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){1|C<4>,1|S<1>}	N[5](SiC[6a]N[5]2)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<4>,1|S<1>}	107.7190	0.013	3	107.7190	0.000	3	107.7388	0.024	5	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	N[5](SiC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){1|C<4>,1|S<1>}	N[5](SiC[6a]N[5]H)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<4>,1|S<1>}	107.7685	0.308	2	107.7685	0.095	2	107.7388	0.024	5	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Si[5])(C[5]N[5]H)(H)	N[5](Si[5]N[5]NS)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]Si[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Si[5])(C[5]N[5]H)(H){1|N<2>,1|S<2>,3|C<3>}	N[5](Si[5]N[5]NS)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Si[5])(C[5]N[5]H)(H){1|N<2>,1|S<2>,3|C<3>}	111.6000	2.875	2	111.6000	8.266	2	111.6000	8.266	2	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si[6]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]Si[6]C[5])(C[5]N[5]H)(H)	N[5](Si[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]Si[6]C[5])(C[5]N[5]H)(H){1|H<1>,1|N<3>,3|C<4>}	N[5](Si[6]C[6]2N[5])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<4>,1|H<1>}	107.6270	0.030	2	107.6270	0.001	2	107.6270	0.001	2	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[4]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[4]C[5])(C[5]C[5]H)(O)	N[5](C[4]C[4]2H)(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[4]C[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[4]C[4]2H)(C[5]C[5]O)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	105.8370	0.683	2	105.9080	0.167	4	105.9080	0.167	4	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[4]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[4]C[5])(C[5]C[5]H)(O)	N[5](C[4]C[4]2H)(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](N[5]C[4]C[5])(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[4]C[4]2H)(C[5]C[5]O)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	105.9790	0.124	2	105.9080	0.167	4	105.9080	0.167	4	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(COO)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(COO){2|N<3>,6|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,2|C<4>}	105.5150	0.000	1	105.5150	0.000	1	105.5150	0.000	1	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:O-1:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]O)(O)	N[5](C[5,6]C[5,6]C[6a]N[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]O)(O){1|N<3>,4|C<3>}	N[5](C[5,6]C[5,6]C[6a]N[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O){2|N<3>,3|C<3>}	107.9030	0.390	2	107.9030	0.152	2	107.9030	0.152	2	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	N[5](C[5]N[5]ClH)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,3|C<3>}	N[5](C[5]N[5]ClH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|F<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,3|C<3>}	104.9420	0.000	1	104.9420	0.000	1	104.9420	0.000	1	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]C[5]H)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)2	C[5](C[5]C[5]N)(C[5]N[5]O)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]O)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	108.2765	0.231	2	108.2765	0.053	2	108.2765	0.053	2	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[5]C[6])(C[5]N[5]O)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){1|C<4>,1|N<2>,2|C<3>}	105.3155	0.190	2	105.3155	0.036	2	105.0150	0.715	6	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[5]C[6])(C[5]N[5]O)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(O)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(O){1|H<1>,1|O<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O){1|O<1>,3|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]O)(O){1|H<1>,1|O<1>,3|C<4>}	104.8648	1.044	4	104.8648	1.090	4	105.0150	0.715	6	108.0479	2.985	716	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:2:	N[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:C-2:	C[5](N[5]C[5]N[5])(C[5]N[5]C)(H)	N[5](C[5]C[5]2Re)(C[5]C[5]H)(N[5]N[5]H)	C[5](N[5]N[5]Re)(C[5]N[5]H)(CC)	C[5](N[5]C[5]N[5])(C[5]N[5]C)(H){1|Re<6>,1|Re<8>,1|H<1>,2|C<4>}	N[5](C[5]C[5]2Re)(C[5]C[5]H)(N[5]N[5]H){1|Re<6>,1|C<2>,2|C<4>,2|H<1>}	C[5](N[5]N[5]Re)(C[5]N[5]H)(CC){1|C<4>,1|H<1>}	106.3110	0.000	1	106.3110	0.000	1	106.3110	0.000	1	105.8990	0.325	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](N[5]C[5,5]C[6a])(C[5]C[5]O)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,5]C)(C[5]N[5]O)(OH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]O)(O){5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[5](C[5]C[5,5]C)(C[5]N[5]O)(OH){3|C<3>}	106.3970	0.000	1	106.3970	0.000	1	106.3970	0.000	1	105.8990	0.325	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(O)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(O){1|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(OH){1|H<1>,2|C<3>}	105.4440	0.378	2	105.4440	0.143	2	105.4440	0.143	2	105.8990	0.325	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH)	C[5](C[5]C[5]N)(N[5]C[5]C)(O){3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH){1|C<3>,2|H<1>}	105.4750	0.000	1	105.4750	0.000	1	105.4750	0.000	1	105.9448	0.477	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[5]C[6])(C[5]C[5]N)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)2	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H)	C[5](N[5]C[5]C[6])(C[5]C[5]N)(O){1|O<1>,2|C<4>,2|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)2{1|N<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>}	106.6545	0.303	2	106.6545	0.092	2	106.6545	0.092	2	105.9448	0.477	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-3:	C[5](N[5]C[5]C[6])(C[5]N[5]C)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[5]H)	C[5](N[5]C[5]C[6])(C[5]N[5]C)(O){1|H<1>,1|O<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O){1|C<3>,3|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[5]H){1|H<1>,1|O<1>,3|C<4>}	105.4700	0.371	2	105.4700	0.137	2	105.4700	0.137	2	105.9448	0.477	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:N[5]-3:H-1:	B-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]B)(H)	N[5](BC[6a]N[5]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]B)(H){1|Fe<6>,1|C<4>}	N[5](BC[6a]N[5]2)(C[5]N[5]Fe)(C[5]C[5]H){2|C<4>}	C[5](C[5]N[5]H)(N[5]C[5]C)(CCCH){1|Fe<6>,1|B<4>}	108.7573	0.037	3	108.7573	0.001	3	108.7573	0.001	3	107.4736	2.569	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CNO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CNO){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	106.6040	0.000	1	106.6040	0.000	1	106.0242	0.281	4	107.4736	2.569	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CH){1|C<3>,2|H<1>}	106.1940	0.000	1	106.1940	0.000	1	106.0242	0.281	4	107.4736	2.569	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CC[6a]CO){1|C<3>,2|H<1>}	105.3360	0.000	1	105.3360	0.000	1	106.0242	0.281	4	107.4736	2.569	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(COO)	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<2>,2|H<1>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(COO){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	105.9630	0.000	1	105.9630	0.000	1	106.0242	0.281	4	107.4736	2.569	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:4:	N[5]-3:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:B-4:	C[5](N[5]C[5]C[6])(C[5]N[5]B)(H)	N[5](C[6]C[6]2Ir)(C[5]N[5]Ir)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	C[5](N[5]C[5]C[6])(C[5]N[5]B)(H){2|Ir<7>,1|C<3>,2|C<4>}	N[5](C[6]C[6]2Ir)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,1|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<7>,1|C<4>,2|C<3>}	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	107.4736	2.569	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:4:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[5]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){2|H<1>,3|C<3>,3|C<4>}	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-3:C-3:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5]C[3,5]H)(N[5]C[3,5]C)(H)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]H)(H)	C[5](C[5]C[3,5]H)(N[5]C[3,5]C)(H){1|C<4>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO){1|C<3>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]H)(H){2|C<3>,2|H<1>}	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	109.9627	4.327	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(COO){3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H){1|C<3>,2|H<1>}	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	109.9627	4.327	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)2	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]2)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	109.9627	4.327	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]H)(H)	N[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]N[5]H)(H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]H)(H){1|Zr<13>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]C[5]H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]N[5]H)(H){1|Si<5>,1|C<3>,2|C<4>}	111.6865	0.368	2	111.6865	0.136	2	111.6865	0.136	2	109.9627	4.327	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:1:	N[5]-3:C[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[3,5]O)(O)	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[3,5]C[3,5]C[3]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]C[3,5]O)(O){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C[5])(C[5]N[5]O)(O){3|H<1>,4|C<3>}	107.2160	0.000	1	107.2160	0.000	1	107.2160	0.000	1	109.9627	4.327	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:2:	C[5]-3:N[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5]-4:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	N[5](CC[5x3,5x5,20x6]HH)(N[5]N[5]Ir)(C[5]C[5]H)	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5])	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|Fe<10>,1|Ir<8>,2|C<4>}	N[5](CC[5x3,5x5,20x6]HH)(N[5]N[5]Ir)(C[5]C[5]H){1|C<4>}	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]){1|Ir<8>,2|H<1>,3|C<4>}	105.5470	0.000	1	105.5470	0.000	1	105.5470	0.000	1	105.1495	0.316	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:2:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NN)	C[5](C[5]C[5]N)(N[5]C[5]C)(O){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NN){1|C<3>,2|H<1>}	104.7520	0.000	1	104.7520	0.000	1	104.7520	0.000	1	105.1495	0.316	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(COO){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|C<3>}	107.0760	0.000	1	107.0760	0.000	1	107.0760	0.000	1	109.5612	12.202	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]C[6])(N[5]C[5]C)(O){1|C<3>,1|N<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|C<4>,1|H<1>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	107.4190	0.000	1	107.4195	0.000	2	107.4195	0.000	2	109.5612	12.202	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[5]C[6])(N[5]C[5]C)(O){1|C<3>,1|N<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|C<4>,1|H<1>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	107.4200	0.000	1	107.4195	0.000	2	107.4195	0.000	2	109.5612	12.202	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]H)(CC[6a]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]H)(CC[6a]O){1|C<4>,1|H<1>,4|C<3>}	113.7140	0.000	1	113.7140	0.000	1	114.1903	0.173	3	109.5612	12.202	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]H)(CC[6a]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H){2|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]H)(CC[6a]O){1|O<1>,1|O<2>,3|C<3>}	114.4285	0.080	2	114.4285	0.006	2	114.1903	0.173	3	109.5612	12.202	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(O)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CHH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(O){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){5|H<1>,6|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CHH){1|N<3>,2|C<3>}	107.7260	0.000	1	107.7260	0.000	1	107.1260	0.720	2	109.5612	12.202	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(O)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CHH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(O){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,6|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CHH){1|O<2>,2|C<3>}	106.5260	0.000	1	106.5260	0.000	1	107.1260	0.720	2	109.5612	12.202	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:3:3:	N[5]-3:C[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHH)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(O){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,5|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHH){3|C<3>}	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	109.5612	12.202	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	4:4:3:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]C[5]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,5|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCO){1|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|C<4>,4|H<1>}	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:2:3:	C[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[6a]-3:N[5]-2:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]N[5]O)	C[5](C[5]C[6a]N[5])(N[5]C[5,6]C)(O){4|C<3>}	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	103.7804	0.215	8	103.7804	0.046	8	103.7804	0.046	8	103.7804	0.046	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	111.5150	0.000	1	111.5150	0.000	1	111.5150	0.000	1	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:B-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](C[5]N[5]Li2)(C[5]C[5]H)(BN[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){2|Li<3>,1|C<3>}	N[5](C[5]N[5]Li2)(C[5]C[5]H)(BN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){2|Li<3>,1|B<4>,2|C<3>}	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C[6])(C[5]N[5]H)(H){3|C<4>,3|H<1>}	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>,1|H<1>}	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>,1|H<1>}	107.4990	0.000	1	107.4990	0.000	1	106.7995	0.979	2	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CC[6]HH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>,1|H<1>}	N[5](C[5]N[5]RuH)(C[5]C[5]H)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<4>,1|H<1>}	106.1000	0.000	1	106.1000	0.000	1	106.7995	0.979	2	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]PdH)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	N[5](C[5]N[5]PdH)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	106.8470	0.027	2	106.8470	0.001	2	107.1737	0.104	9	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]ReS)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Re)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Re<7>,1|S<3>}	N[5](C[5]N[5]ReS)(C[5]C[5]H)(CH3){1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]H)(H){1|C<4>,1|S<3>}	107.2380	0.000	1	107.2380	0.000	1	107.1737	0.104	9	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]RuS)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<7>,1|S<2>}	N[5](C[5]N[5]RuS)(C[5]C[5]H)(CH3){1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<4>,1|S<2>}	107.0933	0.352	3	107.1930	0.092	5	107.1737	0.104	9	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]RuS)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<8>,1|S<2>}	N[5](C[5]N[5]RuS)(C[5]C[5]H)(CH3){1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(H){1|C<4>,1|S<2>}	107.3425	0.210	2	107.1930	0.092	5	107.1737	0.104	9	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]ZrS)(C[5]C[5]H)(CC3)	C[5](N[5]C[5]Zr)(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Zr<11>,1|S<2>}	N[5](C[5]N[5]ZrS)(C[5]C[5]H)(CC3){1|H<1>}	C[5](N[5]C[5]Zr)(C[5]N[5]H)(H){1|C<4>,1|S<2>}	107.6660	0.000	1	107.6660	0.000	1	107.1737	0.104	9	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	P[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	N[5](P[5]N[5]Pt2)(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	C[5](C[5]N[5]H)(N[5]P[5]C)(H){2|Pt<3>,1|C<4>}	N[5](P[5]N[5]Pt2)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]P[5]C)(H){2|Pt<3>,1|C<4>}	112.7117	1.051	6	112.7117	1.105	6	112.7117	1.105	6	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]C[5]C)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]S)(C[5]N[5]O)(Br)	C[5](C[5]C[5]Br)(N[5]C[5]C)(O){1|H<1>,1|O<2>,1|S<2>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|Br<1>,1|S<2>}	C[5](C[5]C[5]S)(C[5]N[5]O)(Br){1|C<4>,1|H<1>,1|O<2>}	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]S)(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|H<1>,1|O<2>,1|S<2>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|S<2>}	C[5](C[5]C[5]S)(C[5]N[5]O)(Cl){1|C<4>,1|H<1>,1|O<2>}	106.0103	0.299	3	106.0103	0.090	3	105.7082	0.221	5	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<2>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<3>}	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	105.3560	0.000	1	105.3560	0.000	1	105.7082	0.221	5	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(Cl)	C[5](C[5]C[5]Cl)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<2>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.1540	0.000	1	105.1540	0.000	1	105.7082	0.221	5	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH){1|H<1>,1|O<2>}	C[5](C[5]C[5]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	107.6510	0.000	1	107.6510	0.000	1	106.5139	1.204	11	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|O<2>,2|C<4>}	105.9170	0.000	1	105.9170	0.000	1	106.5139	1.204	11	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|H<1>,2|O<2>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>}	C[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<2>}	108.2480	0.325	2	108.2480	0.106	2	106.5139	1.204	11	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H){1|C<3>,2|C<4>}	105.9413	0.574	7	105.9413	0.329	7	106.5139	1.204	11	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(O)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]O)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]O)(H){3|C<4>}	106.3450	0.000	1	106.3450	0.000	1	106.3450	0.000	1	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CC3)	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|H<1>,2|C<4>}	N[5](C[5]N[5]CH)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|H<1>,2|C<4>}	106.9685	0.308	4	106.9685	0.095	4	106.7669	0.296	12	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CC3)	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(O){2|Cl<1>,1|C<4>}	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(O){2|Cl<1>,1|C<4>}	106.7905	0.134	2	106.7905	0.018	2	106.7669	0.296	12	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CCCH)	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(O){2|Cl<1>,1|C<4>}	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CCCH){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(O){2|Cl<1>,1|C<4>}	105.8540	0.433	2	105.8540	0.187	2	106.7669	0.296	12	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	N[5](C[5]N[5]HN)(C[5]C[5]O)(CC3)	C[5](C[5]N[5]O)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]N[5]HN)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>}	107.0100	0.482	4	107.0100	0.233	4	106.7669	0.296	12	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(O){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H){1|S<4>,2|H<1>}	105.0390	0.000	1	105.0390	0.000	1	105.0390	0.000	1	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-4:	N[5,5]-3:C[5]-3:H-1:	C[5](N[5]C[5,5,6]C)(C[5]N[5,5]H)(H)	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CC[6a]HH)	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,5,6]C)(C[5]N[5,5]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CC[6a]HH){2|H<1>,2|N<3>,3|C<3>}	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5]H)(H){1|N<3>,2|C<3>,2|C<4>}	112.1050	0.000	1	112.1050	0.000	1	112.1050	0.000	1	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	N[5](Ga[5]C[5]N[5]N)(C[5]C[5]H)(CC3)	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[5](Ga[5]C[5]N[5]N)(C[5]C[5]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|N<3>}	119.5660	0.188	2	119.5660	0.035	2	118.5356	0.518	10	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	N[5](Ga[5]Ga[5]N[5]I)(C[5]C[5]H)(CC3)	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){1|Ga<4>,1|C<4>,1|I<1>}	N[5](Ga[5]Ga[5]N[5]I)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|I<1>,2|N<3>}	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){1|Ga<4>,1|C<4>,1|I<1>}	118.3865	0.497	2	118.3865	0.247	2	118.5356	0.518	10	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	N[5](Ga[5]N[5]AsI)(C[5]C[5]H)(CC3)	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){1|As<3>,1|C<4>,1|I<1>}	N[5](Ga[5]N[5]AsI)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){1|As<3>,1|C<4>,1|I<1>}	118.2915	0.251	2	118.2915	0.063	2	118.5356	0.518	10	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	N[5](Ga[5]N[5]CC)(C[5]C[5]H)(CC3)	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){3|C<4>}	N[5](Ga[5]N[5]CC)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){3|C<4>}	117.6140	0.033	2	117.6140	0.001	2	118.5356	0.518	10	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	N[5](Ga[5]N[5]IP)(C[5]C[5]H)(CC3)	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H)	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){1|C<4>,1|I<1>,1|P<3>}	N[5](Ga[5]N[5]IP)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](N[5]Ga[5]C)(C[5]N[5]H)(H){1|C<4>,1|I<1>,1|P<3>}	118.8200	0.414	2	118.8200	0.172	2	118.5356	0.518	10	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si[3x5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Si[3x5]C)(C[5]N[5]H)(H)	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5]C[5]H)(CC3)	C[5](N[5]Si[3x5]C)(C[5]N[5]H)(H)	C[5](N[5]Si[3x5]C)(C[5]N[5]H)(H){1|P<3>,2|C<4>}	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,2|C<4>,2|P<2>}	C[5](N[5]Si[3x5]C)(C[5]N[5]H)(H){1|P<3>,2|C<4>}	115.3435	0.056	2	115.3435	0.003	2	115.3435	0.003	2	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si[4,5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Si[4,5]C)(C[5]N[5]H)(H)	N[5](Si[4,5]As[4]2N[5])(C[5]C[5]H)(CC3)	C[5](N[5]Si[4,5]C)(C[5]N[5]H)(H)	C[5](N[5]Si[4,5]C)(C[5]N[5]H)(H){2|As<3>,1|C<4>}	N[5](Si[4,5]As[4]2N[5])(C[5]C[5]H)(CC3){1|Si<4>,2|Zn<3>,1|C<4>,1|H<1>}	C[5](N[5]Si[4,5]C)(C[5]N[5]H)(H){2|As<3>,1|C<4>}	114.5050	0.041	2	114.5050	0.002	2	114.5050	0.002	2	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si[5,5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Si[5,5]C)(C[5]N[5]H)(H)	N[5](Si[5,5]N[5]3)(C[5]C[5]H)(CC3)	C[5](N[5]Si[5,5]C)(C[5]N[5]H)(H)	C[5](N[5]Si[5,5]C)(C[5]N[5]H)(H){1|C<4>,2|N<3>}	N[5](Si[5,5]N[5]3)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|B<3>,2|N<2>}	C[5](N[5]Si[5,5]C)(C[5]N[5]H)(H){1|C<4>,2|N<3>}	114.1825	0.296	2	114.1825	0.088	2	114.1825	0.088	2	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Si[5]C)(C[5]N[5]H)(H)	N[5](Si[5]C[5]N[5]As)(C[5]C[5]H)(CC3)	C[5](N[5]Si[5]C)(C[5]N[5]H)(H)	C[5](N[5]Si[5]C)(C[5]N[5]H)(H){1|As<2>,1|C<3>,1|C<4>}	N[5](Si[5]C[5]N[5]As)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	C[5](N[5]Si[5]C)(C[5]N[5]H)(H){1|As<2>,1|C<3>,1|C<4>}	114.7840	0.008	2	114.7840	0.000	2	114.3915	0.223	8	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Si[5]C)(C[5]N[5]H)(H)	N[5](Si[5]C[6]N[5]I)(C[5]C[5]H)(CC3)	C[5](N[5]Si[5]C)(C[5]N[5]H)(H)	C[5](N[5]Si[5]C)(C[5]N[5]H)(H){1|I<1>,2|C<4>}	N[5](Si[5]C[6]N[5]I)(C[5]C[5]H)(CC3){1|N<3>,2|C<4>,2|H<1>}	C[5](N[5]Si[5]C)(C[5]N[5]H)(H){1|I<1>,2|C<4>}	114.6875	0.127	2	114.6875	0.016	2	114.3915	0.223	8	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Si[5]C)(C[5]N[5]H)(H)	N[5](Si[5]N[5]NO)(C[5]C[5]H)(CC3)	C[5](N[5]Si[5]C)(C[5]N[5]H)(H)	C[5](N[5]Si[5]C)(C[5]N[5]H)(H){1|C<4>,1|N<3>,1|O<2>}	N[5](Si[5]N[5]NO)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](N[5]Si[5]C)(C[5]N[5]H)(H){1|C<4>,1|N<3>,1|O<2>}	114.4230	0.112	2	114.4230	0.012	2	114.3915	0.223	8	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Si[5]C)(C[5]N[5]H)(H)	N[5](Si[5]N[5]Pd2)(C[5]C[5]H)(CC3)	C[5](N[5]Si[5]C)(C[5]N[5]H)(H)	C[5](N[5]Si[5]C)(C[5]N[5]H)(H){2|Pd<3>,1|C<4>}	N[5](Si[5]N[5]Pd2)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](N[5]Si[5]C)(C[5]N[5]H)(H){2|Pd<3>,1|C<4>}	113.6715	0.101	2	113.6715	0.010	2	114.3915	0.223	8	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[3,5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[3,5]C)(C[5]N[5]O)(O)	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3)	C[5](N[5]C[3,5]C)(C[5]N[5]O)(O)	C[5](N[5]C[3,5]C)(C[5]N[5]O)(O){1|C<4>,2|C<3>}	N[5](C[3,5]C[3]2N[5])(C[5]C[5]O)(CC3){1|C<3>,1|O<1>,2|C<4>}	C[5](N[5]C[3,5]C)(C[5]N[5]O)(O){1|C<4>,2|C<3>}	107.5950	0.108	4	107.5950	0.012	4	107.5950	0.012	4	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[5,5]C)(C[5]N[5]O)(O)	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(CC3)	C[5](N[5]C[5,5]C)(C[5]N[5]O)(O)	C[5](N[5]C[5,5]C)(C[5]N[5]O)(O){1|O<2>,2|C<4>}	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,5]C)(C[5]N[5]O)(O){1|O<2>,2|C<4>}	106.9890	0.006	2	106.9890	0.000	2	106.9890	0.000	2	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6,6]C)(C[5]C[5,6]H)(O)	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5]O)(H)	C[5](N[5]C[5,6,6]C)(C[5]C[5,6]H)(O){1|C<3>,2|C<4>}	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Br-1:	C[5](N[5]C[5,6]C)(C[5]C[5]Br)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(Br)	C[5](N[5]C[5,6]C)(C[5]C[5]Br)(O){1|C<4>,2|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(Br){2|C<4>,3|C<3>}	105.6000	0.000	1	105.6000	0.000	1	105.6000	0.000	1	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){3|C<4>}	106.5840	0.412	4	106.5840	0.170	4	106.8169	0.141	11	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5,6]C)(C[5]N[5]O)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|C<4>,2|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]C)(C[5]N[5]O)(H){1|C<4>,2|C<3>}	106.9390	0.267	4	106.9390	0.071	4	106.8169	0.141	11	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(O){1|H<1>,2|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]H)(C[5]N[5]O)(H){1|C<4>,2|C<3>}	106.9647	0.416	3	106.9647	0.173	3	106.8169	0.141	11	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:I-1:	C[5](N[5]C[5,6]C)(C[5]C[5]I)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(I)	C[5](N[5]C[5,6]C)(C[5]C[5]I)(O){3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|Cl<1>,1|H<1>,1|I<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(I){1|C<4>,4|C<3>}	105.2280	0.000	1	105.2280	0.000	1	105.2280	0.000	1	109.6212	18.838	96	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:2:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5]C[5]S)(H)	N[5](C[5]C[6a]S[5]O)(C[5]C[5]H)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5])	C[5](C[5]C[6a]S[5])(N[5]C[5]S)(H){1|O<2>,3|C<3>}	N[5](C[5]C[6a]S[5]O)(C[5]C[5]H)(SC[6a]OO){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5]){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	108.5360	25.659	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Se-2:	C[5](N[5]C[5,6]C)(C[5]C[5]Se)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a])	C[5](N[5]C[5,6]C)(C[5]C[5]Se)(O){3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a]){1|C<4>,4|C<3>}	106.1015	0.779	2	106.0140	0.326	3	106.0140	0.326	3	108.5360	25.659	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Se-2:	C[5](N[5]C[5,6]C)(C[5]C[5]Se)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a])	C[5](N[5]C[5,6]C)(C[5]C[5]Se)(O){3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|Se<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a]){1|C<4>,4|C<3>}	105.8390	0.000	1	106.0140	0.326	3	106.0140	0.326	3	108.5360	25.659	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CCO){1|H<1>,2|C<4>}	108.9380	0.000	1	108.9380	0.000	1	110.5282	0.612	8	108.4238	5.031	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O){1|C<4>,2|H<1>}	111.4310	0.000	1	111.4310	0.000	1	110.5282	0.612	8	108.4238	5.031	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O){1|C<4>,2|H<1>}	110.6092	0.454	5	110.6092	0.206	5	110.5282	0.612	8	108.4238	5.031	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O){1|C<4>,2|H<1>}	110.8110	0.000	1	110.8110	0.000	1	110.5282	0.612	8	108.4238	5.031	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]O)(C[5]N[5]O)(C[5]S[5]2)	C[5](C[5]C[5]2)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|S<2>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(C[5]S[5]2){1|H<1>,4|C<4>}	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	108.4238	5.031	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	107.1550	0.000	1	107.1550	0.000	1	107.1017	0.003	3	108.4238	5.031	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	107.1030	0.000	1	107.1030	0.000	1	107.1017	0.003	3	108.4238	5.031	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	107.0470	0.000	1	107.0470	0.000	1	107.1017	0.003	3	108.4238	5.031	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(O)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	106.7260	0.000	1	106.7260	0.000	1	106.7260	0.000	1	108.4238	5.031	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,3|H<1>}	104.7175	0.189	2	104.7175	0.036	2	104.7175	0.036	2	108.4238	5.031	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5,5]C)(C[5]C[5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC3)	C[5](C[5]C[5,5]C)(C[5]N[5]O)(COO)	C[5](N[5]C[5,5]C)(C[5]C[5]C)(O){3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC3){6|C<3>}	C[5](C[5]C[5,5]C)(C[5]N[5]O)(COO){1|C<4>,2|C<3>}	106.9630	0.410	2	106.9630	0.168	2	106.9630	0.168	2	108.4238	5.031	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]N[5]IrS)(C[5]C[5]H)(CC3)	C[5](N[5]C[5]Ir)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<5>,1|S<2>}	N[5](C[5]N[5]IrS)(C[5]C[5]H)(CC3){1|C<4>}	C[5](N[5]C[5]Ir)(C[5]N[5]H)(CC3){1|C<4>,1|S<2>}	108.4750	0.000	1	108.4750	0.000	1	107.8822	0.202	4	107.5084	0.944	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5]N[5]RuP)(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ru<8>,1|P<4>}	N[5](C[5]N[5]RuP)(C[5]C[5]H)(CH3){1|C<4>}	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CC3){1|C<4>,1|P<4>}	107.6847	0.263	3	107.6847	0.069	3	107.8822	0.202	4	107.5084	0.944	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,6,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6,6]C)(N[5]C[5,3x6]C)(O)	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5,6,6]C)(N[5]C[5,3x6]C)(O){1|C<4>,2|C<3>}	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)(CC[6a]CH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]N[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	107.5084	0.944	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CH3)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3)	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	107.7560	0.000	1	107.7560	0.000	1	108.1482	0.140	4	107.5084	0.944	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]O)(CC3)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(O){1|C<4>,2|O<2>}	N[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]O)(CC3){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	108.2790	0.327	3	108.2790	0.107	3	108.1482	0.140	4	107.5084	0.944	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH){1|C<4>,1|O<2>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	109.0280	0.000	1	109.0280	0.000	1	108.0030	2.101	2	107.5084	0.944	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>}	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|O<2>,2|C<4>}	106.9780	0.000	1	106.9780	0.000	1	108.0030	2.101	2	107.5084	0.944	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(O)	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]Br)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]S)(O){1|Br<1>,1|C<3>,1|O<2>}	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(SC[6a]OO){1|Br<1>,1|C<4>,2|C<3>}	C[5](C[5]C[5]Br)(C[5]N[5]O)(CH3){1|C<3>,1|O<2>,1|S<4>}	106.7380	0.000	1	106.7380	0.000	1	106.7380	0.000	1	107.5084	0.944	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(C[5]C[5]C)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH)	C[5](N[5]C[5,6]C)(C[5]C[5]C)(O){3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH){1|C<4>,4|C<3>}	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	107.5084	0.944	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:P-4:	C[5](N[5]C[5,6]C)(C[5]C[5]P)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(PO3)	C[5](N[5]C[5,6]C)(C[5]C[5]P)(O){3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|P<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(PO3){1|C<4>,4|C<3>}	106.0700	0.079	2	106.0700	0.006	2	106.0700	0.006	2	107.5084	0.944	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:4:	N[5]-3:C[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:S-4:	C[5](N[5]C[5,6]C)(C[5]C[5]S)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SC[6a]OO)	C[5](N[5]C[5,6]C)(C[5]C[5]S)(O){3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SC[6a]OO){1|C<4>,4|C<3>}	105.8710	0.000	1	105.8710	0.000	1	105.8710	0.000	1	107.5084	0.944	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:4:3:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)	N[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H){1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5a]C[5]H)(C[5]C[5]H)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	112.5533	0.356	3	112.5533	0.126	3	112.5533	0.126	3	112.5533	0.126	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]O)(N[5]C[5]C)(O)	N[5](C[5]C[5,5,6]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]N[5]O)(O)	C[5](C[5]C[5,5,6]O)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	N[5](C[5]C[5,5,6]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]N[5]O)(O){2|C<3>,3|C<4>,4|H<1>}	105.6240	0.000	1	105.6240	0.000	1	105.6240	0.000	1	119.2811	61.831	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(O)	C[5](C[5]C[5,5]O)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	105.9680	1.236	2	105.9680	1.528	2	105.8867	0.784	3	119.2811	61.831	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]O)(N[5]C[5]C)(O)	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(O)	C[5](C[5]C[5,5]O)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]N[5]O)(O){1|C<3>,3|C<4>,5|H<1>}	105.7240	0.000	1	105.7240	0.000	1	105.8867	0.784	3	119.2811	61.831	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,2|C<3>}	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	119.2811	61.831	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:C[5]-3:H-1:	Ga[4,5,5]-4:C[5]-3:C-4:	N[4,5]-4:C[5]-3:H-1:	C[5](N[5]Ga[4,5,5]C)(C[5]N[4,5]H)(H)	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3)	C[5](N[4,5]Ga[4,5,5]Ga[4]C)(C[5]N[5]H)(H)	C[5](N[5]Ga[4,5,5]C)(C[5]N[4,5]H)(H){1|Ga<4>,1|C<4>,1|N<3>,1|N<4>}	N[5](Ga[4,5,5]N[4,5]2N[5])(C[5]C[5]H)(CC3){1|Ga<4>,1|H<1>,2|C<3>,3|C<4>}	C[5](N[4,5]Ga[4,5,5]Ga[4]C)(C[5]N[5]H)(H){2|Cl<1>,1|C<4>,1|N<3>,1|N<4>}	123.9139	1.356	14	123.9139	1.839	14	123.9139	1.839	14	119.2811	61.831	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	N[5]-3:C[5]-3:H-1:	Si[4,5]-4:C[5]-3:C-4:	N[4,5]-4:C[5]-3:H-1:	C[5](N[5]Si[4,5]C)(C[5]N[4,5]H)(H)	N[5](Si[4,5]N[4,5]2N)(C[5]C[5]H)(CC3)	C[5](N[4,5]Si[4,5]2C)(C[5]N[5]H)(H)	C[5](N[5]Si[4,5]C)(C[5]N[4,5]H)(H){1|Si<4>,1|C<4>,1|N<2>,1|N<4>}	N[5](Si[4,5]N[4,5]2N)(C[5]C[5]H)(CC3){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5](N[4,5]Si[4,5]2C)(C[5]N[5]H)(H){1|C<4>,1|N<3>,1|N<4>,2|N<2>}	119.4010	0.000	1	119.4010	0.000	1	119.4010	0.000	1	119.2811	61.831	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:F-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]S)(F)	N[5](C[5]C[5]CC)(C[5]C[5]F)(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]F)(COO)	C[5](C[5]C[5]C)(N[5]C[5]S)(F){1|H<1>,3|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]F)(SC[6a]OO){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]F)(COO){1|S<4>,4|C<3>}	115.9630	0.000	1	115.9630	0.000	1	115.9630	0.000	1	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5,6]N[5])(N[5]C[5,6]S)(H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(SCOO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2)	C[5](C[5]C[5,6]N[5])(N[5]C[5,6]S)(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(SCOO){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|S<4>,2|O<1>,4|C<3>}	111.4030	0.000	1	111.4030	0.000	1	111.4030	0.000	1	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:H-1:	Ga[5]-4:C[5]-3:C-4:	Ga[5]-4:N[5]-3:C[5]-3:	C[5](C[5]Ga[5]N[5])(N[5]Ga[5]C)(H)	N[5](Ga[5]N[5]CN)(C[5]C[5]H)(CC3)	C[5](Ga[5]N[5]2N)(N[5]Ga[5]C)(C[5]N[5]H)	C[5](C[5]Ga[5]N[5])(N[5]Ga[5]C)(H){2|C<4>,4|N<3>}	N[5](Ga[5]N[5]CN)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>}	C[5](Ga[5]N[5]2N)(N[5]Ga[5]C)(C[5]N[5]H){1|N<3>,2|C<3>,4|C<4>}	121.7090	0.000	1	121.7090	0.000	1	121.7090	0.000	1	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,5,6]C)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]O)(CCH)	C[5](C[5]C[5,5,6]C)(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]O)(CCH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]N[5]O)(CC[6a]2)	C[5](C[5]C[5,5]C)(N[5]C[5,5]C)(O){1|Fe<10>,2|C<4>}	N[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]N[5]O)(CC[6a]2){1|H<1>,3|C<4>}	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(O)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]O)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH)	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(O){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]O)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH){1|S<4>,2|H<1>,3|C<3>}	106.2970	0.000	1	106.2970	0.000	1	106.2970	0.000	1	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-3:C-3:	C[5](C[5]C[3,5]C)(N[5]C[5]C)(O)	N[5](C[5]C[3,5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[3,5]C[3]C[5]N[3])(C[5]N[5]O)(CCH)	C[5](C[5]C[3,5]C)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C[5](C[3,5]C[3]C[5]N[3])(C[5]N[5]O)(CCH){1|C<4>,2|C<3>,3|H<1>}	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CC3)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(CCO)	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CC3){3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(CCO){1|C<4>,2|C<3>,4|H<1>}	109.1385	0.084	2	109.1385	0.007	2	108.5393	1.081	3	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(CCO)	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3){3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(CCO){1|C<4>,2|C<3>,4|H<1>}	107.3410	0.000	1	107.3410	0.000	1	108.5393	1.081	3	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CHH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(CHH){1|C<3>,2|C<4>}	107.6580	0.000	1	107.6580	0.000	1	107.3783	0.047	4	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHH)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHH){1|H<1>,2|C<4>}	107.2960	0.000	1	107.2960	0.000	1	107.3783	0.047	4	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){1|O<2>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	107.1470	0.000	1	107.1470	0.000	1	107.3783	0.047	4	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CC)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	107.4120	0.000	1	107.4120	0.000	1	107.3783	0.047	4	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]S)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CClC)	C[5](C[5]C[5]C)(N[5]C[5]S)(O){1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CClC){1|S<4>,2|H<1>}	105.5235	0.032	2	105.5235	0.001	2	106.4487	2.568	3	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]S)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)	C[5](C[5]C[5]C)(N[5]C[5]S)(O){1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO){1|S<4>,2|C<3>,2|H<1>}	108.2990	0.000	1	108.2990	0.000	1	106.4487	2.568	3	109.0587	16.518	17	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO)	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH){1|S<4>,2|H<1>}	113.5450	0.000	1	113.5450	0.000	1	113.2245	0.205	2	113.2245	0.205	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]S)(H){1|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	112.9040	0.000	1	112.9040	0.000	1	113.2245	0.205	2	113.2245	0.205	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	5:3:3:	C[5]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-5:C[5]-3:C-3:	C[5](C[5]C[5,5,6]C)(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5,5,6]C[5,5]C[5,6]C[6]Ru)(C[5]N[5]O)(CCH)	C[5](C[5]C[5,5,6]C)(N[5]C[5,5]C)(O){1|Ru<11>,1|H<1>,3|C<4>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CH3){1|Ru<11>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6]Ru)(C[5]N[5]O)(CCH){2|H<1>,5|C<4>}	107.0170	0.000	1	107.0170	0.000	1	107.0170	0.000	1	107.0480	0.002	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	5:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6]-5:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O)	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,6]C[5]C[6]2Ru)(C[5]N[5]O)(CCO)	C[5](C[5]C[5,6]C)(N[5]C[5]C)(O){1|Ru<11>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3){1|Ru<11>,1|C<3>,2|C<4>}	C[5](C[5,6]C[5]C[6]2Ru)(C[5]N[5]O)(CCO){3|C<4>,4|H<1>}	107.0790	0.000	1	107.0790	0.000	1	107.0790	0.000	1	107.0480	0.002	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:4:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:P-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]P)(H)	N[5](C[5]C[5]RhH)(PN[5a]2Rh)(C[5]C[5]H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]P)(H){1|Rh<4>,2|H<1>}	N[5](C[5]C[5]RhH)(PN[5a]2Rh)(C[5]C[5]H){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(H){1|Rh<4>,1|H<1>,1|P<4>}	109.8530	0.000	1	109.8530	0.000	1	109.8530	0.000	1	111.5916	28.246	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5]-4:C[6]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[5]C[6])(C[5]N[5]H)(H)	N[5](Ga[5]N[5]CC)(C[6]C[6]2H)(C[5]C[5]H)	C[5](N[5]Ga[5]C[6])(C[5]N[5]H)(H)	C[5](N[5]Ga[5]C[6])(C[5]N[5]H)(H){1|H<1>,5|C<4>}	N[5](Ga[5]N[5]CC)(C[6]C[6]2H)(C[5]C[5]H){3|C<4>,5|H<1>}	C[5](N[5]Ga[5]C[6])(C[5]N[5]H)(H){1|H<1>,5|C<4>}	117.2475	0.351	2	117.2475	0.124	2	117.2475	0.124	2	111.5916	28.246	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[3x6]-4:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[3x6]C[5])(C[5]N[5]O)(O)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cl2)(C[5]C[5]O)	C[5](N[5]C[3x6]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[3x6]C[5])(C[5]N[5]O)(O){2|Cl<1>,4|C<4>}	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cl2)(C[5]C[5]O){1|O<1>,4|C<4>,6|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]O)(O){2|Cl<1>,4|C<4>}	106.8050	0.194	2	106.8050	0.038	2	106.8050	0.038	2	111.5916	28.246	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	4:4:3:	3:3:4:	N[5]-3:C[5]-3:O-1:	C[5,5]-4:C[6]-4:C[5]-3:	C[5,5]-3:C[5]-3:C-4:	C[5](N[5]C[5,5]C[6])(C[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5]O[5]O)(C[6]C[6]2H)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH)	C[5](N[5]C[5,5]C[6])(C[5]C[5,5]C)(O){1|H<1>,2|O<2>,3|C<4>}	N[5](C[5,5]C[5,5]O[5]O)(C[6]C[6]2H)(C[5]C[5]O){4|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]C[5])(C[5]N[5]O)(CC[6a]HH){2|C<4>,2|H<1>,2|O<2>}	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	5:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-5:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BC[6a]N[5]HU)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](BC[6a]N[5]HU)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|S<2>}	108.5383	0.867	18	108.5383	0.752	18	108.5113	0.527	38	109.9809	12.279	50	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	5:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-5:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BN[5]MnHH)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](BN[5]MnHH)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|S<2>}	108.1360	0.315	5	108.1360	0.100	5	108.5113	0.527	38	109.9809	12.279	50	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	5:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-5:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BN[5]OsHH)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](BN[5]OsHH)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|S<2>}	108.6775	0.036	2	108.6775	0.001	2	108.5113	0.527	38	109.9809	12.279	50	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	5:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-5:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BN[5]ReHH)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](BN[5]ReHH)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|S<2>}	109.6375	1.414	2	109.6375	1.998	2	108.5113	0.527	38	109.9809	12.279	50	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	5:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-5:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BN[5]RuHH)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](BN[5]RuHH)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|S<2>}	108.2925	0.265	8	108.2925	0.070	8	108.5113	0.527	38	109.9809	12.279	50	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	5:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-5:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]B)(H)	N[5](BN[5]ZrHH)(C[5]C[5]H)(C[5]N[5]S)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]B)(H){1|C<4>,1|S<2>}	N[5](BN[5]ZrHH)(C[5]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|S<2>}	108.6970	0.108	3	108.6970	0.012	3	108.5113	0.527	38	109.9809	12.279	50	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	5:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[3,3,5,4x6]-5:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]B[3,3,5,4x6]C[5])(C[5]N[5]H)(H)	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]B[3,3,5,4x6]C[5])(C[5]N[5]H)(H){1|C<4>,2|H<1>,3|B<6>}	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<2>,4|B<6>,4|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|B<5>,1|H<1>}	108.0020	0.139	2	108.0020	0.019	2	108.4702	0.300	4	109.9809	12.279	50	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	5:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	B[3,3,5,4x6]-5:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]B[3,3,5,4x6]C[5])(C[5]N[5]H)(H)	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](N[5]B[3,3,5,4x6]C[5])(C[5]N[5]H)(H){3|B<6>,3|H<1>}	N[5](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[5]C[5]H)(C[5]N[5]H){2|H<2>,4|B<6>,5|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|B<5>,1|H<1>}	108.9385	0.052	2	108.9385	0.003	2	108.4702	0.300	4	109.9809	12.279	50	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	5:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[3,3,5]-5:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[3,3,5]C[6a])(C[5]N[5]H)(H)	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]Ga[3,3,5]C[6a])(C[5]N[5]H)(H)	C[5](N[5]Ga[3,3,5]C[6a])(C[5]N[5]H)(H){1|Ga<5>,2|N<3>,3|C<3>}	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|Si<4>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5](N[5]Ga[3,3,5]C[6a])(C[5]N[5]H)(H){1|Ga<5>,2|N<3>,3|C<3>}	118.8803	0.362	4	118.8803	0.131	4	118.8803	0.131	4	109.9809	12.279	50	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	5:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ge[3,3,5]-5:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Ge[3,3,5]C[6a])(C[5]N[5]H)(H)	N[5](Ge[3,3,5]B[3,3]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]Ge[3,3,5]C[6a])(C[5]N[5]H)(H)	C[5](N[5]Ge[3,3,5]C[6a])(C[5]N[5]H)(H){1|B<4>,2|N<3>,3|C<3>}	N[5](Ge[3,3,5]B[3,3]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5](N[5]Ge[3,3,5]C[6a])(C[5]N[5]H)(H){1|B<4>,2|N<3>,3|C<3>}	116.5528	0.220	4	116.5528	0.049	4	116.5528	0.049	4	109.9809	12.279	50	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	6:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Nb[5]-6:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Nb[5])(C[5]N[5]H)(H)	N[5](Nb[5]N[5]Br4)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]Nb[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Nb[5])(C[5]N[5]H)(H){4|Br<1>,3|C<3>}	N[5](Nb[5]N[5]Br4)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Nb[5])(C[5]N[5]H)(H){4|Br<1>,3|C<3>}	119.0495	0.770	2	119.0495	0.593	2	117.9273	3.878	7	114.0393	25.238	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	6:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Nb[5]-6:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Nb[5])(C[5]N[5]H)(H)	N[5](Nb[5]N[5]Cl4)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]Nb[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Nb[5])(C[5]N[5]H)(H){4|Cl<1>,3|C<3>}	N[5](Nb[5]N[5]Cl4)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Nb[5])(C[5]N[5]H)(H){4|Cl<1>,3|C<3>}	117.4784	2.188	5	117.4784	4.787	5	117.9273	3.878	7	114.0393	25.238	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	6:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si-6:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]Si)(C[5]N[5]H)(H)	N[5](SiN[5]3Cl2)(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]Si)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	N[5](SiN[5]3Cl2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<6>,1|H<1>}	108.4970	0.260	4	108.4970	0.067	4	108.4970	0.067	4	114.0393	25.238	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	6:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si[5,6]-6:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]Si[5,6]C[5])(C[5]N[5]H)(H)	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]Si[5,6]C[5])(C[5]N[5]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<2>}	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,8|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Si<6>,1|H<1>}	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	114.0393	25.238	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:1:	6:3:4:	6:3:4:	C[5]-3:N[5]-3:H-1:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	C[5x3,6x5,20x6]-6:C[5]-3:C-4:	C[5](C[5]C[5x3,6x5,20x6]C)(N[5]C[5x3,6x5,20x6]C)(H)	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]H)(CH3)	C[5](C[5]C[5x3,6x5,20x6]C)(N[5]C[5x3,6x5,20x6]C)(H){6|B<6>}	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]H)(CH3){1|C<4>,4|H<1>,5|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]N[5]H)(CH3){1|C<4>,4|H<1>,5|B<6>}	115.3340	0.000	1	115.3340	0.000	1	115.3340	0.000	1	115.3340	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:C-2:	C[5]-3:O[5]-2:O-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CN)	N[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5a]N[5a]O[5a])(C[5]N[5]C)(N[5]O[5])	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CN){1|N<2>,1|O<2>}	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C[5](C[5a]N[5a]O[5a])(C[5]N[5]C)(N[5]O[5]){1|C<3>,1|N<2>,1|O<1>}	106.9090	0.000	1	106.9090	0.000	1	106.9090	0.000	1	106.3005	0.741	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:N-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(N[5]O[5]O)(NN)	N[5](C[5]C[5]N)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5])	C[5](C[5]C[5]N[5])(N[5]O[5]O)(NN){1|C<3>,1|N<2>}	N[5](C[5]C[5]N)(O[5]N[5])(O){1|C<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	105.6920	0.000	1	105.6920	0.000	1	105.6920	0.000	1	106.3005	0.741	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:2:4:	3:2:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:N[5]-2:C-4:	C[5]-3:O[5]-2:N-2:	C[5](C[5]O[5]N)(N[5]N[5]C)(SC)	N[5](C[5]C[5]S)(N[5]O[5])(CCCH)	C[5](C[5]N[5]S)(O[5]N[5])(NC)	C[5](C[5]O[5]N)(N[5]N[5]C)(SC)	N[5](C[5]C[5]S)(N[5]O[5])(CCCH){1|N<2>}	C[5](C[5]N[5]S)(O[5]N[5])(NC){1|C<4>}	105.0805	0.063	4	105.0805	0.004	4	105.0805	0.004	4	105.0805	0.004	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:N-2:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(NC)	N[5](C[5]C[5]N)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(NC){1|C<3>}	N[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]N[5]N)(H){1|C<4>,2|C<3>}	103.5680	0.000	1	103.5680	0.000	1	103.5680	0.000	1	107.7800	35.482	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:O-2:	C[5]-3:S[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]S[5]C)(OH)	N[5](C[5]C[5]O)(S[5]C[5])(CH3)	C[5](C[5]N[5]O)(C[5]S[5]H)(H)	C[5](C[5]C[5]H)(N[5]S[5]C)(OH){1|H<1>}	N[5](C[5]C[5]O)(S[5]C[5])(CH3){2|H<1>}	C[5](C[5]N[5]O)(C[5]S[5]H)(H){1|C<4>}	111.9920	0.000	1	111.9920	0.000	1	111.9920	0.000	1	107.7800	35.482	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:N[5]-2:	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5]N[5])(C[5]N[5]N)(H)	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]N[5])	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]N[5]N)(H){1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.7583	0.114	3	123.7583	0.013	3	123.7583	0.013	3	123.7583	0.013	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6]-3:N[5]-3:	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NH)	N[5](C[5]C[5]N)(C[5]N[5]H)(H)	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H)	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NH){2|H<1>,2|N<3>}	N[5](C[5]C[5]N)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H){2|C<4>,4|H<1>}	105.8210	0.000	1	105.8210	0.000	1	105.8210	0.000	1	106.3580	0.577	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(NH)	N[5](C[5]C[5]N)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(NH){1|O<1>,3|C<3>}	N[5](C[5]C[5]N)(C[5]C[5]O)(H){2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,4|C<3>}	106.8950	0.000	1	106.8950	0.000	1	106.8950	0.000	1	106.3580	0.577	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:S-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:O[5]-2:N-3:	C[5](N[5]C[6a]N[5])(C[5]O[5]N)(SHg)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]O[5])	C[5](C[5]N[5]S)(O[5]N[5])(NHgC)	C[5](N[5]C[6a]N[5])(C[5]O[5]N)(SHg){2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]O[5]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]N[5]S)(O[5]N[5])(NHgC){1|C<3>}	104.5065	0.442	2	104.5065	0.195	2	104.5065	0.195	2	104.5065	0.195	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:C-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CC)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CC){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<3>}	104.8550	0.000	1	104.8550	0.000	1	104.8550	0.000	1	104.8550	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:S-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(SZn)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(SZn){1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5]){3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C){2|H<1>,3|C<3>}	103.8220	0.057	2	103.8220	0.003	2	103.8220	0.003	2	104.1702	0.163	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:Se-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(SeZn)	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(SeZn){1|C<4>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5]){3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){2|H<1>,3|C<3>}	104.5185	0.005	2	104.5185	0.000	2	104.5185	0.000	2	104.1702	0.163	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:N-2:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NN)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NN){4|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){1|H<1>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H){4|C<3>}	106.2115	0.050	2	106.2115	0.003	2	106.2115	0.003	2	105.5936	6.833	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H){1|H<1>,3|C<3>}	102.8095	0.728	2	102.8095	0.529	2	102.8095	0.529	2	105.5936	6.833	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:O-1:	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]O)(OC)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(C[6]N[6]2)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O)	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]O)(OC){2|C<2>,2|N<2>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(C[6]N[6]2){1|O<1>,4|C<2>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O){1|C<2>,2|C<3>}	103.6320	0.000	1	103.6320	0.000	1	103.6320	0.000	1	105.5936	6.833	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-2:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(OC)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]O)	C[5](C[5]N[5]C)(C[5]N[5]O)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(OC){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(H){1|Pd<4>,1|C<3>}	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	105.5936	6.833	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]Cl)(SC)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]S)	C[5](C[5]C[5]O)(C[5]N[5]S)(Cl)	C[5](N[5]C[6a]C[5])(C[5]C[5]Cl)(SC){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]S){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]O)(C[5]N[5]S)(Cl){2|C<3>}	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	105.5936	6.833	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:N[5]-2:	C[5](C[5]N[5]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[5]N[5])(C[5]N[5]N)(NHH)	C[5](C[5]N[5]2)(N[5]C[5]N)(N[5]N[5])	C[5](C[5]N[5]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|H<1>,3|N<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]N)(NHH){1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|H<1>,3|N<3>}	123.7537	0.296	15	123.7537	0.087	15	123.7537	0.087	15	119.5746	55.758	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:O-2:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(N[5]C[5]C)(OH)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CN)	C[5](C[5]C[5]C)(N[5]C[5]C)(OH){1|C<3>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O){1|C<2>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CN){2|C<3>}	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	119.5746	55.758	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(OMn)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]N[5]C)(C[5]N[5]O)(NC)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(OMn){2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NC){1|C<3>,1|C<4>}	106.2180	0.000	1	106.2180	0.000	1	106.2180	0.000	1	119.5746	55.758	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]O)(OH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]N[5]C)(C[5]N[5]O)(OH)	C[5](N[5]C[6a]N[5])(C[5]C[5]O)(OH){2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(OH){1|C<3>,1|C<4>}	107.6070	0.000	1	107.6070	0.000	1	107.6070	0.000	1	119.5746	55.758	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:S-2:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:S-2:	C[5](N[5]C[6a]C[5])(C[5]N[5]S)(SLi)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]S)(SLi)	C[5](N[5]C[6a]C[5])(C[5]N[5]S)(SLi){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]N[5]S){1|S<2>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]S)(SLi){1|S<1>,3|C<3>}	105.8870	0.383	2	105.8870	0.147	2	105.8870	0.147	2	119.5746	55.758	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6])	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[5]C)(C[5]N[5]N)(NC[6]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6]){1|C<2>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]N)(NC[6]H){1|C<3>,1|O<1>}	105.7215	0.026	2	105.7215	0.001	2	105.7215	0.001	2	106.4567	0.595	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(OCu)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CCO)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(OCu){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){2|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CCO){1|H<1>,3|C<3>}	105.3920	0.058	2	105.3920	0.003	2	105.3920	0.003	2	106.4567	0.595	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(ONi)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]N[5]C)(C[5]N[5]O)(NNiC)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(ONi){2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NNiC){1|C<3>,1|C<4>}	106.8879	0.508	7	106.8879	0.258	7	106.9066	0.224	8	106.4567	0.595	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(OSn)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]N[5]C)(C[5]N[5]O)(NSnC)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(OSn){2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NSnC){1|C<3>,1|C<4>}	107.0380	0.000	1	107.0380	0.000	1	106.9066	0.224	8	106.4567	0.595	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5]-3:N[5]-3:O-2:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(OH)	N[5](N[5]C[5]Re)(C[5]C[5]O)(CNS)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(OH){1|Re<6>,1|C<4>}	N[5](N[5]C[5]Re)(C[5]C[5]O)(CNS){2|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3){1|Re<6>,1|C<3>}	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	109.5088	0.220	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH){2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>}	109.8140	0.197	3	109.8140	0.039	3	109.5660	0.272	4	109.5088	0.220	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	108.8220	0.000	1	108.8220	0.000	1	109.5660	0.272	4	109.5088	0.220	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	4:3:1:	N[5]-3:C[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(NC[6a])	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[5]CC)(C[5]N[5]N)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(NC[6a]){1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){1|O<1>,2|C<3>,4|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]N)(O){1|C<3>,1|O<1>}	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:2:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:S-2:	C[5](C[5]S[5]S)(N[5]C[5]C)(SC)	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH)	C[5](C[5]N[5]S)(S[5]C[5])(SC)	C[5](C[5]S[5]S)(N[5]C[5]C)(SC){1|C<3>}	N[5](C[5]C[5]S)(C[5]S[5]C)(CCHH){1|S<2>}	C[5](C[5]N[5]S)(S[5]C[5])(SC){1|C<3>,1|C<4>}	112.7870	0.000	1	112.7870	0.000	1	113.1579	0.169	12	113.1922	0.138	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:2:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:S-2:	C[5](C[5]S[5]S)(N[5]C[5]C)(SC)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C[5](C[5]N[5]S)(S[5]C[5])(SC)	C[5](C[5]S[5]S)(N[5]C[5]C)(SC){1|S<1>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	C[5](C[5]N[5]S)(S[5]C[5])(SC){1|C<4>,1|S<1>}	112.8540	0.000	1	112.8540	0.000	1	113.1579	0.169	12	113.1922	0.138	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:2:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:S-2:	C[5](C[5]S[5]S)(N[5]C[5]C)(SC)	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]CH)	C[5](C[5]N[5]S)(S[5]C[5])(SC)	C[5](C[5]S[5]S)(N[5]C[5]C)(SC){1|S<1>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CC[6a]CH){1|S<2>}	C[5](C[5]N[5]S)(S[5]C[5])(SC){1|C<4>,1|S<1>}	112.5815	0.319	2	112.5815	0.102	2	113.1579	0.169	12	113.1922	0.138	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:2:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:S-2:	C[5](C[5]S[5]S)(N[5]C[5]C)(SMo)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C[5](C[5]N[5]S)(S[5]C[5])(SMo)	C[5](C[5]S[5]S)(N[5]C[5]C)(SMo){1|S<1>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	C[5](C[5]N[5]S)(S[5]C[5])(SMo){1|C<4>,1|S<1>}	113.3840	0.257	3	113.3840	0.066	3	113.1579	0.169	12	113.1922	0.138	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:2:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:S-2:	C[5](C[5]S[5]S)(N[5]C[5]C)(SMo)	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3)	C[5](C[5]N[5]S)(S[5]C[5])(SMo)	C[5](C[5]S[5]S)(N[5]C[5]C)(SMo){1|S<1>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CH3){1|S<2>}	C[5](C[5]N[5]S)(S[5]C[5])(SMo){1|C<4>,1|S<1>}	113.1335	0.018	2	113.1335	0.000	2	113.1579	0.169	12	113.1922	0.138	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:2:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:S-2:	C[5](C[5]S[5]S)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH)	C[5](C[5]N[5]S)(S[5]C[5])(SNi)	C[5](C[5]S[5]S)(N[5]C[5]C)(SNi){1|S<1>}	N[5](C[5]C[5]S)(C[5]S[5]S)(CCHH){1|S<2>}	C[5](C[5]N[5]S)(S[5]C[5])(SNi){1|C<4>,1|S<1>}	113.5573	0.215	3	113.5573	0.046	3	113.1579	0.169	12	113.1922	0.138	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:2:2:	C[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:Se-2:	C[5](C[5]S[5]Se)(N[5]C[5]C)(SeMo)	N[5](C[5]C[5]Se)(C[5]S[5]S)(CCHH)	C[5](C[5]N[5]Se)(S[5]C[5])(SeMo)	C[5](C[5]S[5]Se)(N[5]C[5]C)(SeMo){1|S<1>}	N[5](C[5]C[5]Se)(C[5]S[5]S)(CCHH){1|Se<2>}	C[5](C[5]N[5]Se)(S[5]C[5])(SeMo){1|C<4>,1|S<1>}	113.2405	0.030	2	113.2405	0.001	2	113.2950	0.052	4	113.1922	0.138	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:2:2:	C[5]-3:N[5]-3:Se-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:Se-2:	C[5](C[5]S[5]Se)(N[5]C[5]C)(SeMo)	N[5](C[5]C[5]Se)(C[5]S[5]S)(CH3)	C[5](C[5]N[5]Se)(S[5]C[5])(SeMo)	C[5](C[5]S[5]Se)(N[5]C[5]C)(SeMo){1|S<1>}	N[5](C[5]C[5]Se)(C[5]S[5]S)(CH3){1|Se<2>}	C[5](C[5]N[5]Se)(S[5]C[5])(SeMo){1|C<4>,1|S<1>}	113.3495	0.377	2	113.3495	0.142	2	113.2950	0.052	4	113.1922	0.138	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(CC)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Re)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CC){1|Re<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|Re<6>,1|H<1>}	C[5](N[5]C[5]Re)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	104.3050	0.000	1	104.3050	0.000	1	104.3050	0.000	1	105.7362	0.944	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(NS){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O){1|C<4>,1|H<1>,2|C<3>}	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	105.7362	0.944	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(NC)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(NC){1|C<3>,1|O<1>}	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(H){1|C<4>,1|O<1>,2|C<3>}	105.6570	0.000	1	105.6570	0.000	1	105.6570	0.000	1	105.7362	0.944	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(SC[6a])	N[5](C[5]N[5]Ir)(C[5]C[5]S)(CH3)	C[5](C[5]N[5]S)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(SC[6a]){1|Ir<6>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]S)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]S)(N[5]C[5]C)(H){1|Ir<6>,1|C<4>}	105.5400	0.000	1	105.5400	0.000	1	106.2325	0.959	2	105.7362	0.944	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(SS)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]S)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(SS){1|C<4>,1|S<1>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]S)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	106.9250	0.000	1	106.9250	0.000	1	106.2325	0.959	2	105.7362	0.944	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-2:	C[5](C[5]N[5]C)(N[5]C[5]C)(CN)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CN)	C[5](C[5]N[5]C)(N[5]C[5]C)(CN){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCHH){1|C<2>,1|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CN){1|Pd<4>,1|C<4>}	106.8180	0.124	2	106.8180	0.015	2	107.2715	0.318	4	107.2816	0.758	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-2:	C[5](C[5]N[5]C)(N[5]C[5]C)(CN)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CN)	C[5](C[5]N[5]C)(N[5]C[5]C)(CN){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3){1|C<2>,1|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CN){1|Pd<4>,1|C<4>}	107.7250	0.339	2	107.7250	0.115	2	107.2715	0.318	4	107.2816	0.758	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S-2:	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a])	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a])	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a]){1|C<4>,1|S<1>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CH3){1|C<4>,1|S<2>}	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a]){1|C<4>,1|S<1>}	107.0975	0.284	2	107.0975	0.080	2	107.2844	0.918	14	107.2816	0.758	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S-2:	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a])	N[5](C[5]N[5]Mo)(C[5]C[5]S)(CH3)	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a])	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a]){1|Mo<6>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]S)(CH3){1|C<4>,1|S<2>}	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a]){1|Mo<6>,1|C<4>}	106.4020	0.950	2	106.4020	0.903	2	107.2844	0.918	14	107.2816	0.758	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S-2:	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a])	N[5](C[5]N[5]Pd)(C[5]C[5]S)(CH3)	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a])	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a]){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]S)(CH3){1|C<4>,1|S<2>}	C[5](C[5]N[5]S)(N[5]C[5]C)(SC[6a]){1|Pd<4>,1|C<4>}	106.3065	0.221	2	106.3065	0.049	2	107.2844	0.918	14	107.2816	0.758	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S-2:	C[5](C[5]N[5]S)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]S)(N[5]C[5]C)(SNi)	C[5](C[5]N[5]S)(N[5]C[5]C)(SNi){1|C<4>,1|S<1>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCCH){1|C<4>,1|S<2>}	C[5](C[5]N[5]S)(N[5]C[5]C)(SNi){1|C<4>,1|S<1>}	108.5465	0.172	4	108.5465	0.030	4	107.2844	0.918	14	107.2816	0.758	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S-2:	C[5](C[5]N[5]S)(N[5]C[5]C)(SNi)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]S)(N[5]C[5]C)(SNi)	C[5](C[5]N[5]S)(N[5]C[5]C)(SNi){1|C<4>,1|S<1>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	C[5](C[5]N[5]S)(N[5]C[5]C)(SNi){1|C<4>,1|S<1>}	106.9650	0.322	2	106.9650	0.104	2	107.2844	0.918	14	107.2816	0.758	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S-2:	C[5](C[5]N[5]S)(N[5]C[5]C)(SPt)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]S)(N[5]C[5]C)(SPt)	C[5](C[5]N[5]S)(N[5]C[5]C)(SPt){1|C<4>,1|S<1>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<4>,1|S<2>}	C[5](C[5]N[5]S)(N[5]C[5]C)(SPt){1|C<4>,1|S<1>}	107.1270	0.741	2	107.1270	0.549	2	107.2844	0.918	14	107.2816	0.758	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]N)(N[5]C[5]C)(CN)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(NHH)	C[5](C[5]N[5]N)(N[5]C[5]C)(CN){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<4>,1|N<3>}	C[5](C[5]N[5]C)(N[5]C[5]C)(NHH){1|C<4>,1|H<1>}	107.1640	0.000	1	107.1640	0.000	1	107.1640	0.000	1	106.3892	1.215	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(CN)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CNO)	C[5](C[5]N[5]C)(N[5]C[5]C)(CN){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|Cu<5>,1|C<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CNO){1|C<4>,1|H<1>}	106.6530	0.000	1	106.6530	0.000	1	106.6530	0.000	1	106.3892	1.215	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	105.5070	0.000	1	105.5070	0.000	1	105.2635	0.119	2	106.3892	1.215	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	105.0200	0.000	1	105.0200	0.000	1	105.2635	0.119	2	106.3892	1.215	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:S-2:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]C)(SNi)	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH)	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]C)(SNi){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	N[5](C[5]C[5]S)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>}	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C){1|C<3>,1|N<3>,1|S<1>,1|S<2>,2|C<4>}	106.9955	1.421	2	106.9955	2.018	2	106.9955	2.018	2	106.3892	1.215	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:O-2:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(OH)	N[5](C[5]C[5]O)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]C)(OH){1|C<4>,1|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CH3){2|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	109.5315	0.076	2	109.5315	0.006	2	109.5315	0.006	2	109.5315	0.006	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:I-2:	C[5]-3:C[5]-3:C-4:	P-4:C[5]-3:N[5]-3:	C[5](C[5]N[5]P)(N[5]C[5]C)(IAu)	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3)	C[5](PC[6a]2Au)(C[5]N[5]I)(N[5]C[5]C)	C[5](C[5]N[5]P)(N[5]C[5]C)(IAu){1|C<4>,1|H<1>}	N[5](C[5]C[5]I)(C[5]N[5]H)(CH3){1|C<4>,1|P<4>}	C[5](PC[6a]2Au)(C[5]N[5]I)(N[5]C[5]C){1|C<4>,1|H<1>}	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	106.0905	3.621	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[3]-4:C[5]-3:C[5]-3:	C[5](C[5]C[3]C[5])(N[5]C[5]C)(NC)	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3)	C[5](C[3]C[3]2H)(C[5]C[5]H)(C[5]N[5]N)	C[5](C[5]C[3]C[5])(N[5]C[5]C)(NC){1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5]N)(C[5]C[5]O)(CC3){1|C<4>,1|H<1>}	C[5](C[3]C[3]2H)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,1|O<1>,4|H<1>}	104.7450	0.000	1	104.7450	0.000	1	104.7450	0.000	1	106.0905	3.621	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:4:1:	3:3:2:	C[5]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:N[5]-2:	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]C[5])	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]C[5]){2|C<4>,5|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]N[5]2)(N[5]C[5]H)(N[5]C[5]){2|C<4>,5|H<1>}	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:Se-2:	C[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(SeZn)	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(SeZn){1|C<4>,2|C<3>}	N[5](C[5]C[5]Se)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	103.9050	0.000	1	103.9050	0.000	1	103.9050	0.000	1	103.9050	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	4:3:1:	3:3:3:	C[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]N)(N[5]C[5]H)(NO)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]N)(H)	C[5](C[5]N[5]N)(N[5]C[5]O)(NHH)	C[5](C[5]N[5]N)(N[5]C[5]H)(NO){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]N)(H){1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]N[5]N)(N[5]C[5]O)(NHH){1|C<3>,2|H<1>}	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	4:3:3:	4:3:3:	N[5]-3:C[5]-3:S-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:N-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]N)(SC)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]S)(NOO)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]N)(SC){2|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]S)(NOO){1|O<1>,1|O<2>,3|C<3>}	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:2:	4:3:4:	4:3:2:	C[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:S-4:	C[5,5]-4:C[5]-3:C-2:	C[5](C[5]C[5,5]C)(N[5]C[5]S)(NH)	N[5](C[5]C[5,5]HH)(C[5]C[5]N)(SCOO)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN)	C[5](C[5]C[5,5]C)(N[5]C[5]S)(NH){2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]N)(SCOO){1|C<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:Cl-1:	C[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]O[5]O)	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(N[5]O[5])(Cl)	C[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]O[5]O){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|Cl<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]O[5])(Cl){1|O<1>,2|C<3>}	105.1290	0.000	1	105.1290	0.000	1	105.1290	0.000	1	105.1290	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:2:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:C-2:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]O)	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(N[5]O[5])(CC)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]O){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|C<2>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]O[5])(CC){1|O<1>,2|C<3>}	105.0060	0.000	1	105.0060	0.000	1	105.0060	0.000	1	105.0060	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:2:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]2)(C[5]N[5]C)(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(N[5]O[5])(CNN)	C[5](C[5]N[5]2)(C[5]N[5]C)(N[5]O[5]O){2|N<2>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<2>}	C[5](C[5]C[5]N[5])(N[5]O[5])(CNN){1|O<1>,2|N<2>}	106.6100	0.000	1	106.6100	0.000	1	106.6100	0.000	1	105.5266	1.328	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:2:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(N[5]O[5])(NHH)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<3>}	C[5](C[5]C[5]N[5])(N[5]O[5])(NHH){1|C<3>,1|N<3>,1|O<1>}	106.5700	0.000	1	106.6520	0.013	2	105.9582	0.663	4	105.5266	1.328	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:2:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(N[5]O[5])(NHH)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|N<3>,1|O<2>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]O[5])(NHH){1|C<3>,1|N<2>,1|O<1>}	106.7340	0.000	1	106.6520	0.013	2	105.9582	0.663	4	105.5266	1.328	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:2:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(N[5]O[5])(NHN)	C[5](C[5]C[5]N[5])(C[5]N[5]N)(N[5]O[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<3>}	C[5](C[5]C[5]N[5])(N[5]O[5])(NHN){1|C<3>,1|N<3>,1|O<1>}	105.2645	0.223	2	105.2645	0.050	2	105.9582	0.663	4	105.5266	1.328	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]O[5]O)(CClN)	N[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]N[5]C)(N[5]O[5])(CClN)	C[5](C[5]N[5]C)(N[5]O[5]O)(CClN)	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C[5](C[5]N[5]C)(N[5]O[5])(CClN){1|O<1>}	106.1760	0.000	1	106.1760	0.000	1	105.9565	0.096	2	105.5266	1.328	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]O[5]O)(CNN)	N[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]N[5]C)(N[5]O[5])(CNN)	C[5](C[5]N[5]C)(N[5]O[5]O)(CNN)	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C[5](C[5]N[5]C)(N[5]O[5])(CNN){1|O<1>}	105.7370	0.000	1	105.7370	0.000	1	105.9565	0.096	2	105.5266	1.328	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:N-3:	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5](C[5]C[5a]N[5])(N[5]O[5])(NOO)	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|O<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<3>,2|N<2>}	C[5](C[5]C[5a]N[5])(N[5]O[5])(NOO){1|O<1>,2|N<2>}	105.0060	0.361	2	105.0060	0.130	2	105.0060	0.130	2	105.5266	1.328	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:2:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:O-1:	C[5]-3:O[5]-2:N-3:	C[5](C[6a]C[6a]2)(C[5]O[5]N)(N[5]N[5]O)	N[5](C[5]C[6a]C[5])(N[5]O[5])(O)	C[5](C[5]C[6a]N[5])(O[5]N[5])(NHH)	C[5](C[6a]C[6a]2)(C[5]O[5]N)(N[5]N[5]O){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]O[5])(O){1|N<3>,2|C<3>}	C[5](C[5]C[6a]N[5])(O[5]N[5])(NHH){1|O<1>,2|C<3>}	102.8980	0.000	1	102.8980	0.000	1	102.8980	0.000	1	105.5266	1.328	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]N[5])(H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	104.5765	0.743	4	104.5765	0.552	4	104.5765	0.552	4	104.5765	0.552	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])2(N[5]O[5])	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|N<3>,2|C<3>}	C[5](C[5]C[5]N[5])2(N[5]O[5]){1|C<3>,1|N<2>,1|O<2>,2|N<3>,2|O<1>}	105.7200	0.000	1	106.4440	0.551	3	106.4440	0.551	3	106.3772	0.707	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])2(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])2(N[5]O[5])	C[5](C[5]C[5]N[5])2(N[5]O[5]O){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|N<2>,2|C<3>}	C[5](C[5]C[5]N[5])2(N[5]O[5]){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	106.8060	0.561	2	106.4440	0.551	3	106.4440	0.551	3	106.3772	0.707	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5a]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[5]N[5]2)(N[5]O[5]O)	N[5](C[5]C[5]2)(O[5]N[5])(O)	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5])	C[5](C[5]C[5a]N[5])(C[5]N[5]2)(N[5]O[5]O){4|N<2>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<2>}	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]){1|C<3>,1|O<1>,1|O<2>,2|N<2>}	105.0770	0.000	1	105.0770	0.000	1	105.0770	0.000	1	106.3772	0.707	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5])	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5]){1|C<3>,1|N<3>,1|O<2>,2|N<2>,2|O<1>}	106.9300	0.253	2	106.0487	1.057	4	106.0487	1.057	4	106.3772	0.707	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5])	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|C<3>,1|H<1>,3|N<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	105.1675	0.030	2	106.0487	1.057	4	106.0487	1.057	4	106.3772	0.707	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5a]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5])	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|N<3>,1|O<1>,3|N<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]){1|N<3>,2|O<1>,3|N<2>}	106.4550	0.290	3	106.4550	0.084	3	106.4550	0.084	3	106.3772	0.707	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]){1|O<1>,2|H<1>,4|C<3>}	104.8420	0.000	1	104.8420	0.000	1	104.8420	0.000	1	106.3772	0.707	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5])	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	106.9933	0.838	3	106.9933	0.703	3	106.9933	0.703	3	106.3772	0.707	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|N<2>}	106.6205	0.391	2	106.7910	0.164	3	106.7910	0.164	3	106.3772	0.707	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,2|N<2>,2|O<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]){1|C<3>,1|O<1>,2|N<2>,2|O<2>}	107.1320	0.000	1	106.7910	0.164	3	106.7910	0.164	3	106.3772	0.707	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(N[5]O[5]O)	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5])	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(N[5]O[5]O){1|C<4>,4|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	106.3772	0.707	19	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-2:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]N[5]H)(COO)	N[5](C[5]C[5]C)(N[5]N[5])(H)	C[5](N[5]N[5]Li)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]N[5]H)(COO){1|Li<5>}	N[5](C[5]C[5]C)(N[5]N[5])(H){1|Li<5>,1|C<3>}	C[5](N[5]N[5]Li)(C[5]N[5]C)(COO){1|H<1>}	103.6240	0.021	2	103.6240	0.000	2	103.6240	0.000	2	103.6240	0.000	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:S[5]-2:N-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]S[5]N)	N[5](C[5]C[6a]C[5])(S[5]C[5])(NS)	C[5](C[5]C[6a]N[5])(C[5]C[6a]S[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]S[5]N){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(S[5]C[5])(NS){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6a]S[5])(H){1|N<2>,4|C<3>}	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<3>}	104.8880	0.000	1	104.8880	0.000	1	104.8880	0.000	1	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|C<4>,1|N<3>,3|C<3>}	104.6930	0.000	1	104.6930	0.000	1	104.6930	0.000	1	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C)	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[5](C[5]C[6]N[5])(N[5]C[6]N[5])(H)	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(N[5]C[6]N[5])(H){1|C<4>,4|C<3>}	103.4590	0.000	1	103.4590	0.000	1	103.4590	0.000	1	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]C)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]C){1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	105.1360	0.244	4	105.1360	0.059	4	104.2996	3.542	5	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	100.9540	0.000	1	100.9540	0.000	1	104.2996	3.542	5	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]2)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]2){1|C<3>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	101.2390	0.000	1	101.2390	0.000	1	101.8238	1.992	6	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(N[5]N[5])(CCHH)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<3>}	N[5](C[5]C[5]C)(N[5]N[5])(CCHH){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	101.1790	0.000	1	101.1790	0.000	1	101.8238	1.992	6	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<3>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	101.2767	0.173	3	101.2767	0.030	3	101.8238	1.992	6	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]N)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]N){1|C<3>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	104.6950	0.000	1	104.6950	0.000	1	101.8238	1.992	6	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(NCH)	N[5](C[5]C[5]N)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(NCH){1|C<3>}	N[5](C[5]C[5]N)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]N[5]N)(H){1|C<4>,2|C<3>}	105.7040	0.000	1	105.7040	0.000	1	105.7040	0.000	1	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|C<4>,4|C<3>}	104.2520	0.000	1	104.3547	0.032	3	104.2491	0.247	12	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|C<4>,4|C<3>}	104.4060	0.218	2	104.3547	0.032	3	104.2491	0.247	12	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	104.2139	0.571	9	104.2139	0.326	9	104.2491	0.247	12	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:I-1:	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(I)	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|I<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(I){1|C<4>,4|C<3>}	105.1445	0.268	2	105.1445	0.072	2	104.8251	0.610	10	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:I-1:	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I)	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|C<4>,1|I<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I){1|C<4>,2|C<3>}	104.7452	0.859	8	104.7452	0.737	8	104.8251	0.610	10	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:S-1:	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(S)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|S<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(S){1|C<4>,4|C<3>}	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:Se-1:	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(Se)	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(Se){1|C<4>,4|C<3>}	105.7690	0.000	1	105.7690	0.000	1	105.7925	0.001	2	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:Se-1:	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(Se)	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<1>,1|C<4>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(Se){1|C<4>,2|C<3>}	105.8160	0.000	1	105.8160	0.000	1	105.7925	0.001	2	104.2066	2.129	40	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:S-2:	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(SZn)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|S<2>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(SZn){1|C<4>,4|C<3>}	105.5645	0.030	2	105.5645	0.001	2	105.5645	0.001	2	105.3782	0.030	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:Se-2:	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(SeZn)	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<2>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(SeZn){1|C<4>,4|C<3>}	105.2745	0.004	2	105.2745	0.000	2	105.2540	0.001	3	105.3782	0.030	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:Se-2:	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(SeZn)	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|Se<2>,1|C<4>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(SeZn){1|C<4>,2|C<3>}	105.2130	0.000	1	105.2130	0.000	1	105.2540	0.001	3	105.3782	0.030	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]Cu)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]Cu)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]Cu)(N[5]N[5]C){1|Cu<2>,1|N<2>,1|N<3>,2|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Cu<2>,1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]Cu)(N[5]N[5]C){1|Cu<2>,1|N<2>,1|N<3>,2|C<4>}	127.8350	0.474	2	127.8350	0.224	2	125.8716	5.529	5	118.1000	49.307	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	122.4100	0.000	1	122.4100	0.000	1	125.8716	5.529	5	118.1000	49.307	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C){1|Mn<5>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Mn<5>,1|N<3>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C){1|Mn<5>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	126.6610	0.000	1	125.6390	2.089	2	125.8716	5.529	5	118.1000	49.307	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C)	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C){1|Mn<5>,1|N<2>,1|N<3>,2|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Mn<5>,1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]Mn)(N[5]N[5]C){1|Mn<5>,1|N<2>,1|N<3>,2|C<4>}	124.6170	0.000	1	125.6390	2.089	2	125.8716	5.529	5	118.1000	49.307	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	C[5]-3:Ge[5]-2:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](C[5]C[5]C)(Ge[5]N[5])(CC3)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>}	N[5](C[5]C[5]C)(Ge[5]N[5])(CC3){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>}	113.3890	0.109	2	113.3890	0.012	2	112.5489	0.429	7	118.1000	49.307	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	C[5]-3:Ge[5]-2:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](C[5]C[5]C)(Ge[5]N[5])(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>}	N[5](C[5]C[5]C)(Ge[5]N[5])(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>}	112.2128	0.382	5	112.2128	0.146	5	112.5489	0.429	7	118.1000	49.307	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:B-4:	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3)	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CCCH){1|B<4>,1|C<4>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3){1|C<4>,2|C<3>}	107.2080	0.000	1	107.2080	0.000	1	106.9733	0.049	3	106.9733	0.049	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:2:4:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:B-4:	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3)	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]N[5])(CH3){1|B<4>,1|C<4>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3){1|C<4>,2|C<3>}	106.8560	0.127	2	106.8560	0.016	2	106.9733	0.049	3	106.9733	0.049	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]C[5]2)(C[5]S[5]N)(H)	C[5](C[5]C[5]N[5])(S[5]C[5])(H)	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	N[5](C[5]C[5]2)(C[5]S[5]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]N[5])(S[5]C[5])(H){1|C<3>,1|H<1>,2|N<3>}	113.0611	0.830	7	113.0611	0.689	7	113.0611	0.689	7	111.8371	3.197	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(CCN)	N[5](C[5]C[5]C)(C[5]S[5]N)(H)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(CCN){1|N<3>}	N[5](C[5]C[5]C)(C[5]S[5]N)(H){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|H<1>,1|N<3>}	112.8070	0.000	1	112.8070	0.000	1	112.8070	0.000	1	111.8371	3.197	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-3:O-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]N[5]O)(COO)	N[5](C[5]C[5]C)(N[5]O[5]C)(O)	C[5](C[5]N[5]C)(O[5]N[5])(O)	C[5](C[5]O[5]O)(N[5]N[5]O)(COO){1|C<4>}	N[5](C[5]C[5]C)(N[5]O[5]C)(O){1|O<1>}	C[5](C[5]N[5]C)(O[5]N[5])(O){1|C<4>,1|O<1>}	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	111.8371	3.197	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]S[5]N)(H)	C[5](C[5]C[5a]N[5])(S[5]C[5])(H)	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	N[5](C[5]C[5a]C[5])(C[5]S[5]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5a]N[5])(S[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	111.9300	0.358	2	111.9300	0.128	2	111.9300	0.128	2	111.8371	3.197	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-2:H-1:	C[5](C[6]C[6]N[6])(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[6]N[5])(C[5]C[5])(H)	C[5](C[6]C[6]N[6])(C[5]C[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5]C[6])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[6]N[5])(C[5]C[5])(H){1|C<3>,1|N<2>,2|H<1>}	107.2230	0.000	1	107.2230	0.000	1	107.2230	0.000	1	111.8371	3.197	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(H)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	113.4460	0.000	1	111.7218	1.852	4	111.4311	1.076	7	111.8371	3.197	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(H)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	111.1470	0.893	3	111.7218	1.852	4	111.4311	1.076	7	111.8371	3.197	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(H)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|H<1>,1|S<1>,2|C<3>}	111.0437	0.235	3	111.0437	0.055	3	111.4311	1.076	7	111.8371	3.197	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(H)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(H){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	113.3070	0.000	1	113.3070	0.000	1	113.3070	0.000	1	111.8371	3.197	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]C[5]N[5])(C[5]S[5]C)(N[5]C[5]H)	N[5](C[5]C[5]2)(C[5]S[5]N)(H)	C[5](C[5]C[5]N[5])(S[5]C[5])(CH3)	C[5](C[5]C[5]N[5])(C[5]S[5]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	N[5](C[5]C[5]2)(C[5]S[5]N)(H){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]C[5]N[5])(S[5]C[5])(CH3){1|C<3>,1|H<1>,2|N<3>}	113.3475	0.189	2	113.3475	0.036	2	113.3475	0.036	2	110.1900	14.438	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-2:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H)	N[5](C[5]C[5]C)2(H)	C[5](C[5]N[5]C)(C[5]C[5])(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H){1|C<4>}	N[5](C[5]C[5]C)2(H){1|C<4>}	C[5](C[5]N[5]C)(C[5]C[5])(CH3){1|C<4>,1|H<1>}	106.0650	0.000	2	106.0650	0.000	2	106.0650	0.000	2	110.1900	14.438	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(H)	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(H){1|C<4>,2|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3){1|H<1>,1|N<3>,2|C<3>}	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	110.1900	14.438	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]H){1|H<1>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|H<1>,1|O<1>}	105.4165	0.066	2	105.4165	0.004	2	105.3533	0.014	3	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]H){1|H<1>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|H<1>,1|O<1>}	105.2270	0.000	1	105.2270	0.000	1	105.3533	0.014	3	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	106.5150	0.000	1	108.1047	0.376	11	107.9369	0.680	12	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	108.2637	0.331	10	108.1047	0.376	11	107.9369	0.680	12	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(H){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	106.0910	0.000	1	106.0910	0.000	1	107.9369	0.680	12	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[5]2)(C[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5]C[5]2)(C[5]N[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.4300	0.974	2	107.4300	0.949	2	106.9570	0.616	4	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[5]2)(C[5]N[5]H)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,4|H<1>}	N[5](C[5]C[5]2)(C[5]N[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	106.5170	0.000	1	106.5170	0.000	1	106.9570	0.616	4	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]2)(H)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(N[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	106.4510	0.000	1	106.4510	0.000	1	106.9570	0.616	4	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[5]2)(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(N[5]N[5]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5]2)(N[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	105.8700	0.000	1	105.8700	0.000	1	105.8700	0.000	1	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]S[5])(C[5]C[5]H)(N[5]N[5]H)	N[5](N[5]C[5]Mg)(C[5]C[5]2)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]S[5])(C[5]C[5]H)(N[5]N[5]H){1|Mg<6>,1|C<2>,1|C<3>,2|H<1>}	N[5](N[5]C[5]Mg)(C[5]C[5]2)(H){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H){1|Mg<6>,1|C<3>,1|H<1>,1|S<2>}	106.3830	0.000	1	106.3830	0.000	1	106.3830	0.000	1	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCC){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	106.6970	0.000	1	106.6970	0.000	1	107.0863	0.307	6	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCH){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	106.9650	0.000	1	106.9650	0.000	1	107.0863	0.307	6	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCN){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	106.9100	0.000	1	106.9100	0.000	1	107.0863	0.307	6	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	106.4740	0.000	1	106.4740	0.000	1	107.0863	0.307	6	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C[5]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	107.9810	0.000	1	107.9810	0.000	1	107.0863	0.307	6	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	107.4910	0.000	1	107.4910	0.000	1	107.0863	0.307	6	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]H)(CCH)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(CCH){1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|H<1>,1|O<1>}	105.8705	0.039	2	105.8705	0.002	2	105.8705	0.002	2	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CHN)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CHN){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	105.9790	0.000	1	105.9790	0.000	1	106.1552	0.022	4	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(COO){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	106.2140	0.113	3	106.2140	0.013	3	106.1552	0.022	4	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[5a]H)	N[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[5a]H){1|H<1>,1|O<1>}	N[5](C[5]C[5]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	105.0110	0.037	2	105.0110	0.001	2	104.8886	0.048	7	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H)	N[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H){1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>}	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	104.9857	0.195	3	104.9857	0.038	3	104.8886	0.048	7	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H)	N[5](C[5]C[5]C)(C[5]N[5]O)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>}	N[5](C[5]C[5]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	104.6205	0.081	2	104.6205	0.007	2	104.8886	0.048	7	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CNO)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CNO){1|Ni<6>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	107.4617	0.316	6	107.4617	0.100	6	107.5319	1.003	14	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(COO)	N[5](N[5]C[5]Co)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(COO){1|Co<6>,1|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<6>,1|H<1>}	108.6287	1.888	3	108.6287	3.563	3	107.5319	1.003	14	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(COO)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(COO){1|Mn<6>,1|C<3>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|H<1>}	106.8340	0.000	2	106.8340	0.000	2	107.5319	1.003	14	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(COO)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(COO){1|Ni<6>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	107.1210	0.000	1	107.1210	0.000	1	107.5319	1.003	14	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(COO)	N[5](N[5]C[5]Sr)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(COO){1|Sr<8>,1|C<3>}	N[5](N[5]C[5]Sr)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Sr<8>,1|H<1>}	106.8190	0.000	1	106.8190	0.000	1	107.5319	1.003	14	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(COO)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(COO){1|Zn<6>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<6>,1|H<1>}	107.1830	0.000	1	107.1830	0.000	1	107.5319	1.003	14	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H){2|H<1>,4|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]H)(NHH)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]H)(NHH){2|H<1>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|Br<1>,1|H<1>}	C[5](C[5]N[5]H)(C[5]N[5]N)(Br){2|H<1>}	105.9690	0.000	1	105.9690	0.000	1	105.9690	0.000	1	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(NCH)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]N)(H){2|H<1>}	108.3548	0.189	5	108.3548	0.036	5	108.5644	0.573	16	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH){2|H<1>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]H)(C[5]N[5]N)(H){2|H<1>}	107.6453	0.553	3	107.6453	0.306	3	108.5644	0.573	16	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]N[5]N)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH){1|H<1>,1|N<3>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]N)2(H){2|H<1>}	108.4495	0.285	4	108.4495	0.081	4	108.5644	0.573	16	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(NHN)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]N[5]N)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHN){1|H<1>,1|N<3>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]N)2(H){2|H<1>}	109.6308	0.285	4	109.6308	0.081	4	108.5644	0.573	16	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](N[5]C[5]Cu)(C[5]C[5]N)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH){1|Cu<5>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]N)(H){2|H<1>}	C[5](C[5]N[5]H)(C[5]N[5]N)(H){1|Cu<5>,1|H<1>}	107.1180	0.000	1	107.1180	0.000	1	107.0545	0.086	4	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](N[5]C[5]Fe)(C[5]C[5]N)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH){1|Fe<6>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]N)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]N)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	107.2205	0.209	2	107.2205	0.044	2	107.0545	0.086	4	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](N[5]C[5]Mn)(C[5]C[5]N)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH){1|Mn<6>,1|C<3>}	N[5](N[5]C[5]Mn)(C[5]C[5]N)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]N)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>}	106.6590	0.000	1	106.6590	0.000	1	107.0545	0.086	4	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|N<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	108.5075	0.469	2	108.1123	0.578	3	108.1123	0.578	3	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	107.3220	0.000	1	108.1123	0.578	3	108.1123	0.578	3	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5a]N[5a,6a]C[5a])(C[5]N[5,6a]H)(N[5]C[5,6a]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5](C[5a]N[5a,6a]C[5a])(C[5]N[5,6a]H)(N[5]C[5,6a]H){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<3>,2|H<1>,3|C<3>}	106.7830	0.006	2	106.7830	0.000	2	106.7830	0.000	2	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	107.5657	1.435	3	107.5657	2.060	3	107.5657	2.060	3	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H)	C[5](C[5]C[5a]N[5])2(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){1|F<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])2(H){2|C<3>,2|H<1>,2|N<3>}	107.7800	0.041	2	107.5375	0.056	6	107.5375	0.056	6	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H)	C[5](C[5]C[5a]N[5])2(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])2(H){2|C<3>,2|H<1>,2|N<3>}	107.4163	0.182	4	107.5375	0.056	6	107.5375	0.056	6	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|H<1>,3|C<3>}	109.2770	0.000	1	109.2770	0.000	1	105.7802	2.280	8	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]Co)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|Co<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[5]Co)(H){2|C<3>,2|H<1>}	104.7860	0.000	1	104.9630	0.078	3	105.7802	2.280	8	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]Co)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|Co<6>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[5]Co)(H){2|C<3>,2|H<1>}	105.0515	0.332	2	104.9630	0.078	3	105.7802	2.280	8	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(H){1|H<1>,1|S<1>,2|C<3>}	105.5190	0.658	4	105.5190	0.433	4	105.7802	2.280	8	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Co<5>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,1|H<1>,2|C<3>}	106.2505	0.179	2	106.0673	0.117	3	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Co<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	105.7010	0.000	1	106.0673	0.117	3	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Co<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Co<4>,1|H<1>,4|C<3>}	106.4235	0.209	2	106.4235	0.044	2	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	106.4980	0.000	1	106.4980	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	104.9090	0.000	1	104.9090	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|H<1>,2|C<3>}	106.7050	0.065	2	106.2597	0.203	6	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<6>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<6>,1|H<1>,2|C<3>}	106.0370	0.373	4	106.2597	0.203	6	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Er)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Er<8>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Er)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Er<8>,1|H<1>,4|C<3>}	105.7950	0.000	1	105.7950	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	107.5380	0.000	1	107.5380	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<6>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|H<1>,2|C<3>}	106.8770	0.000	1	106.8770	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|H<1>,4|C<3>}	106.0123	0.181	3	106.0945	0.049	4	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|H<1>,4|C<3>}	106.3410	0.000	1	106.0945	0.049	4	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	106.2050	0.000	1	106.2050	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	106.5390	0.576	3	106.5390	0.332	3	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){2|H<1>,4|C<3>}	107.3410	1.765	2	106.9765	0.343	24	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){2|H<1>,4|C<3>}	106.9434	0.462	22	106.9765	0.343	24	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	106.6953	0.334	3	106.6953	0.112	3	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ir<6>,1|H<1>,2|C<3>}	108.0820	3.876	3	108.0820	15.023	3	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<6>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|H<1>,2|C<3>}	106.1200	0.000	1	106.1200	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<8>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ir)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Ir<8>,1|H<1>,4|C<3>}	107.1400	0.134	2	107.1400	0.018	2	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	105.1520	0.000	1	105.7530	0.722	2	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	106.3540	0.000	1	105.7530	0.722	2	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Mn<5>,1|H<1>,4|C<3>}	106.4500	0.263	2	106.4167	0.038	3	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Mn<6>,1|H<1>,4|C<3>}	106.3500	0.000	1	106.4167	0.038	3	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ni<4>,1|H<1>,1|N<3>,3|C<3>}	106.6700	0.000	1	106.6500	0.001	2	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ni<5>,1|H<1>,1|N<3>,3|C<3>}	106.6300	0.000	1	106.6500	0.001	2	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<5>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<5>,1|H<1>,2|C<3>}	106.1600	0.000	1	106.1900	0.002	2	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	106.2200	0.000	1	106.1900	0.002	2	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pd<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	107.3255	0.525	2	107.3255	0.276	2	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	106.5990	0.000	1	106.5990	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pt<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	105.6910	0.000	1	105.6910	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pt<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Pt<4>,1|H<1>,4|C<3>}	106.4248	1.255	4	106.4248	1.575	4	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Rh)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Rh<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Rh)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Rh<4>,1|H<1>,4|C<3>}	106.1175	0.127	2	106.1175	0.016	2	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ru<8>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<8>,1|H<1>,1|N<3>,3|C<3>}	106.2310	0.000	1	106.2310	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ru<6>,2|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ru<6>,1|H<1>,2|C<3>}	106.5130	0.292	3	106.5130	0.085	3	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ru<9>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	105.4210	0.000	1	105.4210	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Sb)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Sb<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Sb)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Sb<6>,1|H<1>,4|C<3>}	106.6985	0.347	4	106.6985	0.120	4	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Sm)(H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Sm<13>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Sm)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Sm<13>,1|H<1>,1|N<3>,3|C<3>}	105.6220	0.868	2	105.6220	0.754	2	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ti)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ti<6>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ti)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ti<6>,1|H<1>,2|C<3>}	105.2700	0.000	1	105.2700	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Yb)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Yb<8>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Yb)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Yb<8>,1|H<1>,4|C<3>}	105.1850	0.000	1	105.1850	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Zn<4>,1|H<1>,2|C<3>}	106.0637	1.004	4	106.0637	1.008	4	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]N)(H){1|Zn<4>,1|H<1>,2|C<3>}	107.5017	1.132	3	107.5017	1.282	3	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Zn<4>,1|H<1>,4|C<3>}	106.7610	0.259	3	106.7610	0.067	3	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]H){1|Ru<6>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	107.1140	0.000	1	107.1140	0.000	1	106.5774	0.876	100	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]O)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]O){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O){2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|O<1>,3|C<3>}	106.6560	0.000	2	106.6560	0.000	2	106.6560	0.000	2	106.8584	1.383	200	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:N-2:	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H)	N[5](C[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NH)	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H){2|C<4>,4|H<1>}	N[5](C[5]C[5]C[6])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|N<3>}	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NH){2|H<1>,2|N<3>}	106.4150	0.000	1	106.4150	0.000	1	106.4150	0.000	1	104.5360	3.028	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCH)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(OH)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCH){1|C<3>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>}	C[5](C[5]C[5]C)(C[5]N[5]C)(OH){1|H<1>,1|O<1>}	103.5965	0.872	2	103.5965	0.760	2	103.5965	0.760	2	104.5360	3.028	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	126.0532	0.339	8	126.0532	0.115	8	126.0532	0.115	8	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[5]2)(C[5]N[5]C)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5]C[5]2)(C[5]N[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4500	0.082	2	121.4500	0.007	2	120.2107	2.627	9	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[5]2)(C[5]N[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,4|H<1>}	N[5](C[5]C[5]2)(C[5]N[5]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,4|H<1>}	122.3930	0.000	1	122.3930	0.000	1	120.2107	2.627	9	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[6a]N[5])(C[5]C[5]2)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	122.2110	0.000	1	122.2110	0.000	1	120.2107	2.627	9	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]C[5]2)(C[5]S[5]N)(H)	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H)	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	N[5](C[5]C[5]2)(C[5]S[5]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5]N[5])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	118.8784	0.275	5	118.8784	0.075	5	120.2107	2.627	9	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(H){1|Ir<6>,1|N<3>,4|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	105.8700	0.000	1	105.8700	0.000	1	106.0898	0.344	12	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Co)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Co<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H){1|Co<4>,5|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Co){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	106.0768	0.143	4	106.0768	0.021	4	106.0898	0.344	12	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H){1|Ir<6>,5|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	106.4778	0.808	4	106.4778	0.653	4	106.0898	0.344	12	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Pt)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Pt<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H){1|Pt<4>,5|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Pt){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	105.0720	0.000	1	105.0720	0.000	1	106.0898	0.344	12	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	105.9590	0.201	2	105.9590	0.040	2	106.0898	0.344	12	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5](C[5]C[5a]N[5])(N[5]C[5]Mn)(C[5]N[5]2)	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]C[5]H){2|Mn<6>,1|H<1>,2|N<2>,2|N<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H){1|Mn<6>,1|C<3>,1|N<2>,1|N<3>}	C[5](C[5]C[5a]N[5])(N[5]C[5]Mn)(C[5]N[5]2){1|Mn<6>,1|N<3>,2|H<1>,3|N<2>}	105.5430	0.000	1	105.5430	0.000	1	105.5430	0.000	1	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H)	N[5](C[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NHH)	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H){2|C<4>,4|H<1>}	N[5](C[5]C[5]C[6])(C[5]N[5]H)(H){1|H<1>,3|N<3>}	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NHH){2|H<1>,2|N<3>}	106.4370	0.542	3	106.4370	0.293	3	106.4370	0.293	3	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Cu<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|Cu<4>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){3|H<1>,5|C<3>}	106.0527	0.253	3	106.0527	0.064	3	106.0761	0.951	43	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){3|H<1>,5|C<3>}	106.4172	1.168	23	106.4172	1.364	23	106.0761	0.951	43	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Zn<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|Zn<4>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){3|H<1>,5|C<3>}	105.6955	0.286	2	105.6955	0.082	2	106.0761	0.951	43	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Co<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H){1|Co<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co){4|C<3>,4|H<1>}	105.3303	0.573	4	105.3303	0.329	4	106.0761	0.951	43	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Cu<6>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H){1|Cu<6>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){4|C<3>,4|H<1>}	105.3920	0.000	1	105.3920	0.000	1	106.0761	0.951	43	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Zn<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(H){1|Zn<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){4|C<3>,4|H<1>}	105.7413	0.464	10	105.7413	0.215	10	106.0761	0.951	43	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){6|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	106.4620	0.212	2	106.4620	0.045	2	106.4620	0.045	2	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H)	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]H){1|N<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(C[5]N[5]H){1|H<1>,6|C<3>}	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|C<4>,1|H<1>}	106.4243	0.408	8	106.4243	0.167	8	106.4945	0.198	11	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<3>,1|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(COO){2|H<1>}	107.2910	0.000	1	107.2910	0.000	1	106.4945	0.198	11	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){2|H<1>}	106.3770	0.339	2	106.3770	0.115	2	106.4945	0.198	11	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]N)(N[5]C[5]H)(CNO)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(NHH)	C[5](C[5]N[5]N)(N[5]C[5]H)(CNO){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]C)(N[5]C[5]H)(NHH){2|H<1>}	106.7573	0.139	3	106.7573	0.019	3	106.7573	0.019	3	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCC)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCC){1|C<2>,1|O<1>,2|C<3>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<2>,1|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){1|O<1>,2|C<3>,3|H<1>}	105.9260	0.000	1	105.9260	0.000	1	105.9825	0.006	2	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCH)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|O<1>,2|C<3>,3|H<1>}	106.0390	0.000	1	106.0390	0.000	1	105.9825	0.006	2	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]Ca)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Ca<7>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Ca<7>,1|C<3>}	C[5](N[5]C[5]Ca)(C[5]N[5]C)(COO){1|C<4>,1|H<1>}	105.5160	0.041	2	105.5160	0.002	2	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]Cd)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Cd<6>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Cd<6>,1|C<3>}	C[5](N[5]C[5]Cd)(C[5]N[5]C)(COO){1|C<4>,1|H<1>}	105.4445	0.426	2	105.4445	0.182	2	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]Co)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Co<6>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Co<6>,1|C<3>}	C[5](N[5]C[5]Co)(C[5]N[5]C)(COO){1|C<4>,1|H<1>}	105.2872	0.256	9	105.2872	0.065	9	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Fe<6>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Fe<6>,1|C<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]C)(COO){1|C<4>,1|H<1>}	105.1203	0.242	3	105.1203	0.058	3	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Mn<6>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Mn<6>,1|C<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]C)(COO){1|C<4>,1|H<1>}	105.2942	0.444	5	105.2942	0.197	5	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Ni<6>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Ni<6>,1|C<3>}	C[5](N[5]C[5]Ni)(C[5]N[5]C)(COO){1|C<4>,1|H<1>}	105.7440	0.000	1	105.7440	0.000	1	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ca)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Ca<8>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Ca<8>,1|C<3>}	C[5](N[5]C[5]Ca)(C[5]N[5]C)(COO){2|H<1>}	104.9820	0.000	1	104.9820	0.000	1	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cd)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Cd<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Cd<6>,1|C<3>}	C[5](N[5]C[5]Cd)(C[5]N[5]C)(COO){2|H<1>}	105.7830	0.324	2	105.7830	0.105	2	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Co<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Co<6>,1|C<3>}	C[5](N[5]C[5]Co)(C[5]N[5]C)(COO){2|H<1>}	105.6925	0.524	2	105.6925	0.275	2	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Fe<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]C)(COO){2|H<1>}	105.2735	0.442	2	105.2735	0.195	2	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Mn<6>,1|C<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]C)(COO){2|H<1>}	105.5510	0.000	1	105.5510	0.000	1	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Os)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Os<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Os<6>,1|C<3>}	C[5](N[5]C[5]Os)(C[5]N[5]C)(COO){2|H<1>}	105.6650	0.000	1	105.6650	0.000	1	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H)	C[5](N[5]C[5]Co)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Co<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H){1|Co<6>,3|C<3>}	C[5](N[5]C[5]Co)(C[5]N[5]C)(COO){1|C<3>,1|H<1>}	104.7970	0.000	1	104.7970	0.000	1	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Fe<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H){1|Fe<6>,3|C<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]C)(COO){1|C<3>,1|H<1>}	104.9270	0.000	1	104.9270	0.000	1	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|Mn<6>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H){1|Mn<6>,3|C<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]C)(COO){1|C<3>,1|H<1>}	104.8320	0.000	1	104.8320	0.000	1	105.3334	0.129	34	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2)	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	107.9780	0.000	1	107.9780	0.000	1	108.3620	0.295	2	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2)	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])(H){5|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2){1|N<2>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	108.7460	0.000	1	108.7460	0.000	1	108.3620	0.295	2	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	107.4610	0.000	1	107.4610	0.000	1	107.4610	0.000	1	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6]-3:N[5]-3:	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NHH)	N[5](C[5]C[5]N)(C[5]N[5]H)(H)	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H)	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NHH){2|H<1>,2|N<3>}	N[5](C[5]C[5]N)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H){2|C<4>,4|H<1>}	105.7203	0.182	3	105.7203	0.033	3	105.7203	0.033	3	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(NHH)	N[5](C[5]C[5]N)(C[5]N[5]H)(H)	C[5](C[5]N[5]N)(N[5]C[5]H)(CNO)	C[5](C[5]N[5]C)(N[5]C[5]H)(NHH){2|H<1>}	N[5](C[5]C[5]N)(C[5]N[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]N)(N[5]C[5]H)(CNO){2|H<1>}	105.7433	0.562	3	105.7433	0.316	3	105.7433	0.316	3	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(NHH)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(NHH){2|H<1>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(C[5]N[5]N)(COO){2|H<1>}	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:N-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(NHH)	N[5](N[5]C[5]Cu)(C[5]C[5]N)(H)	C[5](C[5]N[5]H)(C[5]N[5]N)(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(NHH){1|Cu<6>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]N)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]H)(C[5]N[5]N)(COO){1|Cu<6>,1|H<1>}	106.4137	0.520	4	106.4137	0.271	4	106.4137	0.271	4	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]H)2	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](C[5]N[5]2)(N[5]C[5]H)2	C[5](C[5]N[5]2)(N[5]C[5]H)2{2|C<3>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){2|H<1>,2|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]H)2{2|C<3>,4|H<1>}	125.7372	0.541	23	125.7372	0.293	23	125.7372	0.293	23	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Ir)	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|Ir<6>,1|N<2>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Ir){1|N<2>,2|H<1>,4|C<3>}	104.5610	0.000	1	104.5610	0.000	1	105.1065	0.595	2	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[6]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Os)	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H){1|Os<6>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|Os<6>,1|N<2>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Os){1|N<2>,2|H<1>,4|C<3>}	105.6520	0.000	1	105.6520	0.000	1	105.1065	0.595	2	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Cd)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Cd)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Cd)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Cd<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Cd)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	126.5620	0.000	1	126.5620	0.000	1	129.2992	9.419	17	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Co<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	131.0029	2.515	7	131.0029	6.325	7	129.2992	9.419	17	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Fe<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	128.8245	0.206	2	128.8245	0.042	2	129.2992	9.419	17	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Mn)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Mn)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Mn<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	128.6490	0.000	1	128.6490	0.000	1	129.2992	9.419	17	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Ni)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Ni<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Ni)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	131.5680	0.000	1	131.5680	0.000	1	129.2992	9.419	17	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(H){1|Zn<6>,1|C<4>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	131.1690	0.000	1	131.1690	0.000	1	129.2992	9.419	17	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){1|Zn<6>,2|H<1>,3|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Zn<6>,1|C<3>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){1|Zn<6>,2|H<1>,3|C<3>}	123.1720	0.281	2	126.3675	13.669	4	129.2992	9.419	17	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(H){1|Zn<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]H){2|C<3>,3|H<1>}	129.5630	0.288	2	126.3675	13.669	4	129.2992	9.419	17	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5,6a]H)2(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[5]N[5]2){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){2|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[5]N[5]2){2|H<1>,4|C<3>}	124.9905	0.783	2	124.9905	0.613	2	127.2120	8.649	4	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ni<6>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	127.7610	0.000	1	127.7610	0.000	1	127.2120	8.649	4	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[5]N[5]2)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ru<6>,1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	131.1060	0.000	1	131.1060	0.000	1	127.2120	8.649	4	112.4875	92.505	189	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH){1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){1|H<1>,1|O<1>}	106.5690	0.000	1	106.5690	0.000	1	106.2428	0.304	8	106.3403	0.296	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH){1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	106.6350	0.000	1	106.6350	0.000	1	106.2428	0.304	8	106.3403	0.296	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH){1|O<1>,1|O<2>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>}	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	107.2240	0.000	1	107.2240	0.000	1	106.2428	0.304	8	106.3403	0.296	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H){1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	106.3460	0.000	1	106.3460	0.000	1	106.2428	0.304	8	106.3403	0.296	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]C)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]C){1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	105.5580	0.000	1	105.5580	0.000	1	106.2428	0.304	8	106.3403	0.296	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|C<2>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<2>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	105.8410	0.000	1	105.8855	0.004	2	106.2428	0.304	8	106.3403	0.296	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	105.9300	0.000	1	105.8855	0.004	2	106.2428	0.304	8	106.3403	0.296	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(CH3){1|H<1>,1|O<1>}	105.8390	0.000	1	105.8390	0.000	1	106.2428	0.304	8	106.3403	0.296	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]H){1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]S)(H){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(CH3){1|H<1>,1|S<1>,4|C<3>}	106.4470	0.000	1	106.4470	0.000	1	106.4470	0.000	1	106.3403	0.296	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H)	C[5](C[5]C[6a]N[5])2(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]H){1|Cu<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(H){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])2(CH3){1|Cu<4>,1|H<1>,4|C<3>}	107.0140	0.000	1	107.0140	0.000	1	107.0140	0.000	1	106.3403	0.296	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]H)(CC[5]C)	N[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]ReH)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(CC[5]C){1|Re<6>,1|C<3>,1|H<1>}	N[5](C[5]C[5]C)2(H){1|Re<6>,2|H<1>}	C[5](C[5]C[5]ReH)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	105.3180	0.000	1	105.3180	0.000	1	105.3180	0.000	1	105.3180	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]N)(C[5]C[6a]N[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|N<3>,4|C<3>}	C[5](C[5]C[6a]C[5]N)(C[5]C[6a]N[5])(COO){1|H<1>,1|O<1>,4|C<3>}	110.2160	0.000	1	110.2160	0.000	1	110.2160	0.000	1	110.2160	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:O-2:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(OH)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(OH){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>}	110.0300	0.000	1	110.0300	0.000	1	109.8984	0.309	5	109.8984	0.309	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:O-2:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(OC)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]S)(OC){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|O<2>,1|S<1>,2|C<3>}	109.8655	0.636	4	109.8655	0.405	4	109.8984	0.309	5	109.8984	0.309	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:2:2:	N[5]-3:C[6]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:O[5]-2:O-2:	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O)	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5]C[6]N[5])(O[5]N[5])(OCo)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O){1|Co<6>,1|H<1>,4|C<3>}	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(O[5]N[5])(OCo){1|N<3>,2|C<3>}	104.3255	0.152	2	104.3255	0.023	2	104.3560	0.014	3	104.3560	0.014	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:2:2:	N[5]-3:C[6]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:O[5]-2:O-2:	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O)	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5]C[6]N[5])(O[5]N[5])(OZn)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O){1|Zn<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(O[5]N[5])(OZn){1|N<3>,2|C<3>}	104.4170	0.000	1	104.4170	0.000	1	104.3560	0.014	3	104.3560	0.014	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){3|C<3>}	104.7330	0.000	1	104.7330	0.000	1	104.5555	0.063	2	104.6103	0.068	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]C)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]C){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){3|C<3>}	104.3780	0.000	1	104.3780	0.000	1	104.5555	0.063	2	104.6103	0.068	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]H)(H){3|C<3>}	104.4100	0.000	1	104.4100	0.000	1	104.4100	0.000	1	104.6103	0.068	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:N[5]-3:I-1:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]I)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(I)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]I){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|I<1>,2|C<4>,5|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(I){5|C<3>}	104.9200	0.000	1	104.9200	0.000	1	104.9200	0.000	1	104.6103	0.068	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:N[5]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]S[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]C[6a]S[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(N[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]N[5]){2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	110.4305	0.011	2	110.4305	0.000	2	110.4305	0.000	2	108.0810	16.561	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]W)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2){1|W<6>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]){1|W<6>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]W){1|H<1>,1|P<4>,3|C<3>}	103.3820	0.000	1	103.3820	0.000	1	103.3820	0.000	1	108.0810	16.561	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]O)(CCO)	N[5](C[5]C[5]C)(C[5]N[5]C)(OH)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]O)(CCO){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(OH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|C<4>,1|O<2>}	105.6460	0.000	1	105.6460	0.000	1	105.8130	0.056	2	105.8750	0.428	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]O)(COO)	N[5](C[5]C[5]C)(C[5]N[5]C)(OH)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]O)(COO){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(OH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|C<4>,1|O<2>}	105.9800	0.000	1	105.9800	0.000	1	105.8130	0.056	2	105.8750	0.428	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:O-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O)	N[5](C[5]C[5a]C[5])(C[5]N[5]C)(OH)	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(CH3)	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5a]C[5])(C[5]N[5]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|O<2>}	105.1580	0.000	1	105.1580	0.000	1	105.1580	0.000	1	105.8750	0.428	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:N[5]-3:B-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]B)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(BH3)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]B){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|B<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(BH3){5|C<3>}	106.7160	0.000	1	106.7160	0.000	1	106.7160	0.000	1	105.8750	0.428	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|N<2>,3|C<3>}	113.1060	0.000	1	112.1764	0.516	8	112.1764	0.516	8	112.8599	0.985	14	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|N<3>,3|C<3>}	112.6300	0.000	1	112.1764	0.516	8	112.1764	0.516	8	112.8599	0.985	14	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|N<2>,3|C<3>}	111.3375	0.390	2	112.1764	0.516	8	112.1764	0.516	8	112.8599	0.985	14	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|N<2>,3|C<3>}	112.3997	0.588	3	112.1764	0.516	8	112.1764	0.516	8	112.8599	0.985	14	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|N<3>,3|C<3>}	111.8010	0.000	1	112.1764	0.516	8	112.1764	0.516	8	112.8599	0.985	14	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){1|N<2>,3|C<3>}	114.0090	0.000	1	113.7712	0.095	6	113.7712	0.095	6	112.8599	0.985	14	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N){3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){1|N<2>,3|C<3>}	113.7236	0.319	5	113.7712	0.095	6	113.7712	0.095	6	112.8599	0.985	14	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	107.8040	0.235	2	107.8040	0.055	2	107.7673	0.032	3	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	107.6940	0.000	1	107.6940	0.000	1	107.7673	0.032	3	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5]C)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]H){1|C<2>,1|O<2>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O){1|C<2>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(O){1|C<3>,1|O<2>}	106.4270	0.000	1	106.4270	0.000	1	106.4270	0.000	1	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]H)	N[5](C[5]C[5]C)(C[5]N[5]O)(CCH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]H){1|C<3>,1|O<1>}	N[5](C[5]C[5]C)(C[5]N[5]O)(CCH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|O<1>,3|C<3>}	101.8470	0.000	1	101.8470	0.000	1	101.8470	0.000	1	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCH)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]H)(C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]C)(H){1|C<3>,1|O<1>}	105.4340	0.000	1	105.4340	0.000	1	105.4340	0.000	1	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CC[5a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]S)	C[5](C[5]C[5]Cl)(C[5]N[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CC[5a]H){1|Cl<1>,1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]S){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]Cl)(C[5]N[5]C)(O){1|C<3>,1|S<2>}	106.2300	0.000	1	106.2300	0.000	1	105.7795	0.406	2	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CSiH)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CSiH){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O){1|H<1>,3|C<3>}	105.3290	0.000	1	105.3290	0.000	1	105.7795	0.406	2	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]C)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]C){1|C<3>,1|N<2>,2|C<4>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(C[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<3>,1|C<4>}	104.7340	0.000	1	104.7340	0.000	1	104.7340	0.000	1	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(COO)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(COO){1|Mn<8>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H){1|Mn<8>,3|C<3>}	106.9610	0.000	1	106.9610	0.000	1	106.9610	0.000	1	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CCH)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CCH){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|O<1>,3|C<3>}	105.8770	0.000	1	105.8770	0.000	1	106.2365	0.258	2	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[5]H){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(O){1|O<1>,3|C<3>}	106.5960	0.000	1	106.5960	0.000	1	106.2365	0.258	2	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NCH)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NCH){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H){1|H<1>,3|C<3>}	106.1240	0.000	1	106.1240	0.000	1	106.1240	0.000	1	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:N-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(NCH)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]H)	C[5](C[5]N[5]C)(C[5]N[5]N)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]N)(H){1|C<3>,1|H<1>}	108.0790	0.000	1	108.0790	0.000	1	108.0790	0.000	1	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[5]N)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[5]N){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){1|S<1>,3|C<3>}	105.0790	0.000	1	105.0790	0.000	1	105.3475	0.144	2	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:P-3:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){1|S<1>,3|C<3>}	105.6160	0.000	1	105.6160	0.000	1	105.3475	0.144	2	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(H){6|C<3>}	105.6700	0.287	3	105.6700	0.082	3	105.6700	0.082	3	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[5](C[5]C[6a]N[5])2(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pd<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Pd<4>,5|C<3>}	106.3310	0.000	1	106.3310	0.000	1	106.3310	0.000	1	106.0488	1.919	20	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:P-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]W)	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2){1|W<6>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]W){1|H<1>,1|P<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]){1|W<6>,2|H<1>,3|C<3>}	103.0770	0.000	1	103.0770	0.000	1	103.0770	0.000	1	104.5290	2.395	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:P-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2)	N[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]P)	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2){1|Ru<9>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]P){1|H<1>,1|P<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]){1|Ru<9>,2|H<1>,3|C<3>}	103.3310	0.000	1	103.3310	0.000	1	103.3310	0.000	1	104.5290	2.395	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-2:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CCO)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(OCu)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CCO){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){1|O<2>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(OCu){1|H<1>,3|C<3>}	105.8540	0.359	2	105.8540	0.129	2	105.8540	0.129	2	104.5290	2.395	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	124.3300	0.000	1	124.3300	0.000	1	124.3300	0.000	1	107.3219	18.403	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6]-3:N[5]-3:	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]C)	N[5](C[5]C[5]C[6])(C[5]C[6]N[5])(CC[6]O)	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]Cd)	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]C){2|Cd<5>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5]C[6])(C[5]C[6]N[5])(CC[6]O){1|Cd<5>,2|N<3>,3|C<3>}	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]Cd){1|H<1>,1|N<3>,5|C<3>}	106.3780	0.000	1	106.3780	0.000	1	106.3780	0.000	1	107.3219	18.403	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCH){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,5|C<3>}	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	107.3219	18.403	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[5a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(N[5]C[6a]C[5])(C[5a]C[5a]2)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir)	C[5](C[5]C[5a]N[5])(N[5]C[6a]C[5])(C[5a]C[5a]2){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,6|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,2|H<1>,7|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	106.5030	0.000	1	106.5030	0.000	1	106.5030	0.000	1	107.3219	18.403	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2)	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<2>,2|F<1>,2|H<1>,6|C<3>}	106.3563	0.057	3	106.3547	0.002	4	106.3547	0.002	4	107.3219	18.403	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2)	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	106.3500	0.000	1	106.3547	0.002	4	106.3547	0.002	4	107.3219	18.403	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|Co<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Co<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co){2|H<1>,6|C<3>}	106.0630	0.000	1	106.0630	0.000	1	106.1443	0.229	3	107.3219	18.403	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){2|H<1>,6|C<3>}	106.1850	0.669	2	106.1850	0.447	2	106.1443	0.229	3	107.3219	18.403	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|Pd<4>,2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|Pd<4>,2|H<1>,7|C<3>}	106.1240	0.270	2	106.1240	0.073	2	106.1240	0.073	2	107.3219	18.403	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CHH)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CHH){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CHH){1|O<1>,3|C<3>}	105.1770	0.000	1	105.1770	0.000	1	105.1770	0.000	1	107.3219	18.403	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:N-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(NCC)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(NCC)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(NCC){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]S){1|N<3>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(NCC){1|S<1>,3|C<3>}	106.4455	0.999	4	106.4455	0.998	4	106.4455	0.998	4	107.3219	18.403	18	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a,6a]N[5a])(C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5a]C[5a,6a]N[5a])(C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,2|N<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	109.2080	3.145	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:B[5]-4:	C[5](N[5]C[6a]C[5])(C[5]B[5]N[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H)	C[5](N[5]C[6a]C[5])(C[5]B[5]N[5])(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|B<4>,2|C<4>,7|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H){2|C<4>,6|C<3>}	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	109.2080	3.145	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	4:3:1:	N[5]-3:C[5]-3:B-3:	C[6a]-3:B[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(BBH)	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(BBH){2|Si<4>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H){1|C<3>,1|O<2>}	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:N[5]-3:C-3:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(N[5]N[5,6]C)(CCH)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]O)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(COO)	C[5](C[5]C[5,6]C)(N[5]N[5,6]C)(CCH){1|C<3>,1|C<4>,1|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(COO){1|C<4>,3|C<3>}	108.7830	0.000	1	108.7830	0.000	1	108.7830	0.000	1	108.2835	5.507	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	B[6,6]-4:C[5]-3:N[5]-3:	C[5](C[5]B[6,6]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](B[6,6]C[6,6]2H)(C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](C[5]B[6,6]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|B<4>,2|C<4>,7|C<3>}	C[5](B[6,6]C[6,6]2H)(C[5]C[6a]N[5])(N[5]C[6a]C[5]){2|H<1>,4|C<4>,6|C<3>}	108.6900	0.000	1	108.6900	0.000	1	108.6900	0.000	1	108.2835	5.507	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCH)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCH)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCH){1|C<3>,1|O<1>}	105.0290	0.000	1	105.0290	0.000	1	105.0290	0.000	1	108.2835	5.507	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:N-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(NHH)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]N[5]N)(COO)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(NHH){1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(COO){1|C<3>,1|O<1>}	110.6320	0.000	1	110.6320	0.000	1	110.6320	0.000	1	108.2835	5.507	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>}	113.2890	0.000	1	113.2890	0.000	1	112.5588	0.474	4	113.3600	1.908	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCHH)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCHH){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>}	113.0020	0.000	1	113.0020	0.000	1	112.5588	0.474	4	113.3600	1.908	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CC[6a]HH)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CC[6a]HH){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>}	112.0180	0.000	1	112.0180	0.000	1	112.5588	0.474	4	113.3600	1.908	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CHHP)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CHHP){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>}	111.9260	0.000	1	111.9260	0.000	1	112.5588	0.474	4	113.3600	1.908	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:S-1:	C[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])(CH3)	C[5](C[5]C[6a]N[5])(S[5]C[5])(S)	C[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]C){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])(CH3){1|S<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(S){1|C<4>,3|C<3>}	112.9240	0.622	2	112.9240	0.387	2	112.9240	0.387	2	113.3600	1.908	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Se[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>}	115.3985	0.537	2	115.3985	0.288	2	115.3985	0.288	2	113.3600	1.908	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:2:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-4:	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH)	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(CCCH){1|C<4>,2|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	114.1100	3.046	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:2:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Se[5]-2:C-4:	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]Se[5]N)(CCCH){1|C<4>,2|C<3>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	115.3440	0.000	1	115.3440	0.000	1	115.3440	0.000	1	114.1100	3.046	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.3930	0.000	1	108.3930	0.000	1	107.8950	0.496	2	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	107.3970	0.000	1	107.3970	0.000	1	107.8950	0.496	2	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[5a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[5a]N){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	107.3260	0.000	1	107.3260	0.000	1	106.8918	0.424	4	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	106.3375	0.118	2	106.3375	0.014	2	106.8918	0.424	4	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]N){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	107.5660	0.000	1	107.5660	0.000	1	106.8918	0.424	4	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(CSiH)	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]HH)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CSiH){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	104.9130	0.000	1	104.9130	0.000	1	104.9130	0.000	1	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(CCH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CC[6a]HH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCH){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CC[6a]HH){2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|C<4>}	106.0980	0.000	1	106.0980	0.000	1	106.0980	0.000	1	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5]H)	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5]H){1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	105.1740	0.000	1	105.1740	0.000	1	104.9350	0.114	2	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]H){1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	C[5](C[5]N[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	104.6960	0.000	1	104.6960	0.000	1	104.9350	0.114	2	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]B)(CH3)	C[5](C[5]N[5]N)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|B<4>,1|C<4>}	N[5](C[5]C[5]N)(C[5]N[5]B)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]N)(N[5]C[5]C)(H){1|B<4>,1|C<4>}	108.8440	0.000	2	108.8440	0.000	2	108.8445	0.083	6	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]N)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|C<4>,1|H<1>}	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){2|H<1>}	C[5](C[5]N[5]N)(N[5]C[5]H)(H){2|C<4>}	108.9560	0.144	2	108.9560	0.021	2	108.8445	0.083	6	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]N)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|C<4>,1|H<1>}	N[5](C[5]C[5]N)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]N)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	109.1500	0.000	1	109.1500	0.000	1	108.8445	0.083	6	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]N[5]Rh)(C[5]C[5]N)(CH3)	C[5](C[5]N[5]N)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]N)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]N)(N[5]C[5]C)(H){1|Rh<6>,1|C<4>}	108.3170	0.000	1	108.3170	0.000	1	108.8445	0.083	6	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Cu)(C[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|Cu<4>,1|C<4>}	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Cu<4>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]N)(H){2|C<4>}	108.2110	0.000	1	108.2110	0.000	1	108.0897	0.034	7	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Pd)(C[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|Pd<4>,1|C<4>}	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Pd<4>,1|H<1>}	C[5](N[5]C[5]Pd)(C[5]N[5]N)(H){2|C<4>}	107.9855	0.125	2	107.9855	0.016	2	108.0897	0.034	7	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH)	C[5](N[5]C[5]Pt)(C[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|Pt<4>,1|C<4>}	N[5](C[5]C[5]N)(C[5]N[5]C)(CCHH){1|Pt<4>,1|H<1>}	C[5](N[5]C[5]Pt)(C[5]N[5]N)(H){2|C<4>}	107.9540	0.000	2	107.9540	0.000	2	108.0897	0.034	7	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO)	N[5](C[5]C[5]N)(C[5]N[5]C)(CH3)	C[5](N[5]C[5]Cu)(C[5]N[5]N)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(NOO){1|Cu<5>,1|C<4>}	N[5](C[5]C[5]N)(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]N)(H){2|C<4>}	108.2690	0.219	2	108.2690	0.048	2	108.0897	0.034	7	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3)	C[5](C[5]N[5]2)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]2)(N[5]C[5]C){1|B<4>,1|C<4>,2|C<3>,2|O<1>}	N[5](C[5]C[5]N[5])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]2)(N[5]C[5]C)(H){1|B<4>,1|C<4>,2|C<3>}	107.4720	0.000	2	107.4720	0.000	2	107.4720	0.000	2	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|H<1>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	105.3335	0.421	2	105.3335	0.177	2	105.1194	0.988	5	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	105.7170	0.000	1	105.7170	0.000	1	105.1194	0.988	5	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(PClN)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(PClN){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	105.7900	0.000	1	105.7900	0.000	1	105.1194	0.988	5	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(PNV)	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(PNV){1|C<4>,1|H<1>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	103.4230	0.000	1	103.4230	0.000	1	105.1194	0.988	5	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:I-1:	C[5](C[5]N[5]I)(N[5]C[5]C)(PC[6a]2)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(I)	C[5](C[5]N[5]I)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|H<1>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|I<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(I){1|C<4>,1|H<1>}	104.7090	0.000	1	104.7090	0.000	1	104.7090	0.000	1	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|N<3>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|C<4>,1|H<1>,4|C<3>}	106.4680	0.000	1	106.4680	0.000	1	106.4680	0.000	1	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[5a]C[5])(N[5]C[5]Re)(CH3)	C[5](C[5]C[5a]N[5])(C[5]C[6]N[5])(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(N[5]N[5]C){1|Re<6>,1|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(N[5]C[5]Re)(CH3){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[6]N[5])(H){1|Re<6>,1|C<4>,1|N<3>,1|S<2>,2|C<3>}	105.6920	0.000	1	105.6920	0.000	1	105.6920	0.000	1	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S-1:	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(S)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|S<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(S){1|C<4>,5|C<3>}	107.8080	0.546	2	107.8080	0.298	2	107.8080	0.298	2	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]Br)(Br)	C[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]B){1|Br<1>,1|Ni<6>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(BN[5]2H){2|Br<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]Br)(Br){1|Ni<6>,1|B<4>,2|C<3>}	106.3832	0.211	6	106.3832	0.045	6	106.3832	0.045	6	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Co<5>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,1|B<4>,2|C<3>}	107.0440	0.000	1	107.0440	0.000	1	107.5808	0.146	92	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(BN[5]2H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Co<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Co)(BN[5]2H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Co<5>,1|B<4>,4|C<3>}	107.6599	0.329	15	107.6599	0.108	15	107.5808	0.146	92	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Cu<4>,1|B<4>,2|C<3>}	107.4790	0.000	1	107.4790	0.000	1	107.5808	0.146	92	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(BN[5]2H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Cu<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Cu)(BN[5]2H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Cu<5>,1|B<4>,4|C<3>}	107.4750	0.304	6	107.4750	0.093	6	107.5808	0.146	92	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(BN[5]2H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(BN[5]2H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|B<4>,4|C<3>}	107.5953	0.439	48	107.5972	0.171	55	107.5808	0.146	92	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(BN[5]2H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(BN[5]2H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|B<4>,4|C<3>}	107.5958	0.174	6	107.5972	0.171	55	107.5808	0.146	92	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(BN[5]2H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<7>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(BN[5]2H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<7>,1|B<4>,4|C<3>}	107.6990	0.000	1	107.5972	0.171	55	107.5808	0.146	92	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(BN[5]2H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Mn<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Mn)(BN[5]2H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Mn<6>,1|B<4>,4|C<3>}	107.6520	0.257	3	107.6520	0.066	3	107.5808	0.146	92	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(BN[5]2H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Ni<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(BN[5]2H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Ni<4>,1|B<4>,4|C<3>}	107.5550	0.000	1	107.5048	0.144	10	107.5808	0.146	92	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(BN[5]2H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Ni<5>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(BN[5]2H){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Ni<5>,1|B<4>,4|C<3>}	107.4992	0.402	9	107.5048	0.144	10	107.5808	0.146	92	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ti)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Ti<6>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ti)(BN[5]2H){2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ti<6>,1|B<4>,2|C<3>}	107.3090	0.000	1	107.3090	0.000	1	107.5808	0.146	92	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Fe<5>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|C<4>,4|C<3>}	106.1180	0.113	2	106.1377	0.022	4	106.7649	1.684	26	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Fe<6>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Fe)(CN[5]CH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|C<4>,4|C<3>}	106.1575	0.227	2	106.1377	0.022	4	106.7649	1.684	26	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(CN[5]CH)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ni<6>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ni)(CN[5]CH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Ni<6>,1|C<4>,4|C<3>}	105.9845	0.258	4	105.9845	0.066	4	106.7649	1.684	26	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[5]HH)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pd<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[5]HH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Pd<4>,1|C<4>,4|C<3>}	108.8150	3.198	3	108.8150	10.225	3	106.7649	1.684	26	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6]HH)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pd<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6]HH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Pd<4>,1|C<4>,4|C<3>}	106.5480	0.000	1	106.5480	0.000	1	106.7649	1.684	26	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6a]HH)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pd<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Pd<4>,1|C<4>,4|C<3>}	106.7450	0.000	1	106.7450	0.000	1	106.7649	1.684	26	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(CC[5]HH)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pt<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Pt)(CC[5]HH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Pt<4>,1|C<4>,4|C<3>}	108.3280	0.000	1	108.3280	0.000	1	106.7649	1.684	26	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Re)(CN[5]CH)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Re<6>,1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Re)(CN[5]CH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Re<6>,1|C<4>,4|C<3>}	106.0755	0.100	2	106.0755	0.010	2	106.7649	1.684	26	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Rh)(CN[5]HH)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Rh<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Rh)(CN[5]HH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Rh<6>,1|C<4>,4|C<3>}	106.9280	0.000	1	106.9280	0.000	1	106.7649	1.684	26	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<9>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<9>,1|C<4>,1|N<3>,3|C<3>}	107.3400	0.000	1	107.3400	0.000	1	106.7649	1.684	26	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CH3)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<6>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<6>,1|C<4>,1|N<3>,3|C<3>}	107.1285	0.067	2	107.1285	0.005	2	106.7649	1.684	26	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(CH3)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Zn<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Zn)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Zn<4>,1|C<4>,1|N<3>,3|C<3>}	106.4427	0.112	6	106.4427	0.013	6	106.7649	1.684	26	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	P[3]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](P[3]P[3,3]2)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]C[5]P[3])(C[5]N[5]H)(CC3)	C[5](C[5]N[5]P[3])(N[5]C[5]C)(H)	C[5](P[3]P[3,3]2)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|P<3>}	N[5](C[5]C[5]P[3])(C[5]N[5]H)(CC3){1|C<4>,1|H<1>,2|P<3>}	C[5](C[5]N[5]P[3])(N[5]C[5]C)(H){1|C<4>,1|H<1>,2|P<3>}	105.7980	0.000	1	105.7980	0.000	1	105.7980	0.000	1	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	Si[4]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](Si[4]N[4]2)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]Si[4]C[5])(C[5]N[5]H)(CC3)	C[5](C[5]Si[4]N[5])(N[5]C[5]C)(H)	C[5](Si[4]N[4]2)(C[5]N[5]H)(N[5]C[5]C){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]Si[4]C[5])(C[5]N[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5]Si[4]N[5])(N[5]C[5]C)(H){1|C<4>,1|H<1>,2|N<3>}	103.7515	0.105	2	103.7515	0.011	2	103.7515	0.011	2	107.2338	1.127	162	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:S-2:	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C)	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH)	C[5](C[5]C[5]N[5])(N[5]C[5]C)(SNi)	C[5](C[5]C[5]N[5])(C[5]N[5]S)(N[5]C[5]C){1|C<3>,1|N<3>,1|S<1>,1|S<2>,2|C<4>}	N[5](C[5]C[5]2)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]C[5]C)(SNi){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	107.6705	0.073	2	107.6705	0.005	2	107.6705	0.005	2	107.0567	1.133	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-2:	C[5](C[5]N[5]C)(N[5]C[5]C)(NHH)	N[5](C[5]C[5]N)(C[5]N[5]H)(CC[6a]HH)	C[5](C[5]N[5]N)(N[5]C[5]C)(CN)	C[5](C[5]N[5]C)(N[5]C[5]C)(NHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]N)(C[5]N[5]H)(CC[6a]HH){1|C<2>,1|C<4>}	C[5](C[5]N[5]N)(N[5]C[5]C)(CN){1|C<4>,1|H<1>}	105.8290	0.000	1	105.8290	0.000	1	105.8290	0.000	1	107.0567	1.133	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Re)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Re<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(CH3){1|Re<6>,1|N<3>,4|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Re){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	106.5170	0.000	1	106.5170	0.000	1	106.3387	0.242	3	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	N[5](C[5]C[5a]C[5])(C[5]N[5]Pd)(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Pd<4>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]Pd)(CH3){1|C<4>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Pd<4>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	106.2495	0.661	2	106.2495	0.437	2	106.3387	0.242	3	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:S-4:	C[5]-3:N[5]-3:C[6]-3:	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]C[5]S)	N[5](C[5]C[5]C[6])(C[5]C[5]N[5])(SC[6]OO)	C[5](C[5]C[6]N[5])(N[5]C[5]Pd)(C[6]C[6]2)	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]C[5]S){1|Pd<4>,1|C<4>,4|C<2>}	N[5](C[5]C[5]C[6])(C[5]C[5]N[5])(SC[6]OO){1|Fe<10>,1|Pd<4>,2|C<2>,3|C<3>}	C[5](C[5]C[6]N[5])(N[5]C[5]Pd)(C[6]C[6]2){1|C<4>,1|S<4>,4|C<2>}	100.6610	0.107	2	100.6610	0.012	2	100.6610	0.012	2	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])(CC[6a]HH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|N<3>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){1|C<4>,2|H<1>,5|C<3>}	106.5020	0.000	1	106.5020	0.000	1	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CC[6a]HH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CC[6a]HH){1|Pd<4>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,2|H<1>,5|C<3>}	106.4380	0.000	1	106.4380	0.000	1	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(CH3){1|C<4>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	106.6580	0.417	2	106.6580	0.174	2	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,2|H<1>,4|C<3>}	106.7250	0.136	2	106.7250	0.018	2	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<3>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<3>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){2|C<4>,2|H<1>,4|C<3>}	106.4818	0.095	4	106.4602	0.023	10	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){2|C<4>,2|H<1>,4|C<3>}	106.3775	0.063	4	106.4602	0.023	10	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<5>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Cu<5>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){2|C<4>,2|H<1>,4|C<3>}	106.5825	0.329	2	106.4602	0.023	10	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Zn<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){2|C<4>,2|H<1>,4|C<3>}	106.6930	0.148	2	106.6315	0.018	4	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Zn<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){1|C<4>,2|H<1>,5|C<3>}	106.5700	0.132	2	106.6315	0.018	4	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CCHH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<6>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CCHH){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<6>,1|C<4>,2|H<1>,4|C<3>}	106.7605	0.396	4	106.7605	0.157	4	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CN[5]HH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<6>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Fe)(CN[5]HH){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<6>,1|C<4>,2|H<1>,4|C<3>}	105.8047	0.285	4	105.8047	0.081	4	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ru)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|Ru<6>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ru){1|C<4>,2|H<1>,4|C<3>}	105.5950	0.000	1	105.5950	0.000	1	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH){4|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	105.5190	0.000	1	105.5190	0.000	1	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Re)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Re<6>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Re){1|C<4>,3|H<1>,4|C<3>}	105.8503	0.380	6	105.8503	0.144	6	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Co<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Co<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co){1|C<4>,3|H<1>,4|C<3>}	105.8009	0.322	8	105.8009	0.104	8	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Cu<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){1|C<4>,3|H<1>,4|C<3>}	104.8875	2.309	2	104.8875	5.330	2	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ni)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Ni<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ni){1|C<4>,3|H<1>,4|C<3>}	106.1424	0.429	11	106.1424	0.184	11	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Pd<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,3|H<1>,4|C<3>}	106.9128	0.415	5	106.9128	0.172	5	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Zn<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){1|C<4>,3|H<1>,4|C<3>}	105.9574	0.368	15	105.9574	0.135	15	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CCHH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CCHH){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,1|C<4>,2|H<1>,4|C<3>}	106.5134	0.699	8	106.5134	0.489	8	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CN[5]HH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Ni)(CN[5]HH){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,1|C<4>,2|H<1>,4|C<3>}	105.9099	0.479	8	105.9099	0.230	8	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]P)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Fe)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<5>,1|P<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]P)(CH3){1|Fe<5>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Fe){1|C<4>,1|P<3>,2|H<1>,4|C<3>}	106.0360	0.474	9	106.0360	0.225	9	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CCHH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CCHH){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	106.3745	1.043	4	106.3745	1.087	4	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CN[5]HH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Pd)(CN[5]HH){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	106.5595	0.495	4	106.5595	0.245	4	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CCHH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CCHH){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	107.2763	1.010	4	107.2763	1.019	4	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CH3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CH3){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	106.7110	1.428	2	106.7110	2.040	2	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CN[5]HH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Pt)(CN[5]HH){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	105.9692	0.665	4	105.9692	0.442	4	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]Ru)(CCCH){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,1|C<4>,2|H<1>,4|C<3>}	106.5715	0.118	2	106.5715	0.014	2	106.2293	0.427	122	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH)	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCCH){1|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	107.0265	0.310	2	107.0265	0.096	2	107.0265	0.096	2	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]H){1|O<1>,3|C<3>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	105.6250	0.000	1	105.6250	0.000	1	105.6250	0.000	1	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH)	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH){1|Rh<6>,1|C<4>}	105.7635	0.117	2	105.7635	0.014	2	106.4529	0.232	15	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH)	N[5](C[5]N[5]Se)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH){1|Se<1>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH){1|Se<1>,1|C<4>}	106.4815	0.529	4	106.4815	0.280	4	106.4529	0.232	15	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]C)(COO){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(COO){1|C<4>,1|H<1>}	106.6695	0.329	2	106.6695	0.108	2	106.4529	0.232	15	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(COO)	C[5](C[5]N[5]C)(N[5]C[5]C)(COO){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<3>,1|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(COO){1|C<4>,1|H<1>}	106.6895	0.333	6	106.6895	0.111	6	106.4529	0.232	15	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(COO)	C[5](C[5]N[5]C)(N[5]C[5]C)(COO){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(COO){1|C<4>,1|H<1>}	105.8650	0.000	1	105.8650	0.000	1	106.4529	0.232	15	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(NCH)	N[5](C[5]C[5]N)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]C)(C[5]N[5]N)(CC[6a]O)	C[5](C[5]C[5]C)(N[5]C[5]C)(NCH){1|C<3>,1|O<1>}	N[5](C[5]C[5]N)(C[5]C[5]O)(CCHH){2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]N)(CC[6a]O){1|C<4>,1|O<1>}	110.9040	0.000	1	110.9040	0.000	1	110.9040	0.000	1	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.3165	0.281	2	107.3165	0.079	2	107.4956	0.194	8	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]Ir)(CH3)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){1|Ir<6>,1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]Ir)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){1|Ir<6>,1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.5410	0.628	4	107.5410	0.394	4	107.4956	0.194	8	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(CH3)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C)	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){2|Pd<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[5]N[5])(C[5]N[5]Pd)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]N[5]2)(N[5]C[5]2)(N[5]C[5]C){2|Pd<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.5840	0.100	2	107.5840	0.010	2	107.4956	0.194	8	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]C){1|Co<6>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Co<6>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Co)(C[5]N[5]2)(N[5]C[5]C){1|Co<6>,1|C<4>,2|C<3>,2|H<1>}	123.5200	0.225	2	123.5200	0.051	2	124.0908	0.500	6	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH)	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C){1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CCHH){1|Rh<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Rh)(C[5]N[5]2)(N[5]C[5]C){1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	124.9240	0.096	2	124.9240	0.009	2	124.0908	0.500	6	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:N[5]-3:	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]C)	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]C){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|H<1>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]2)(N[5]C[5]C){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	123.8285	0.511	2	123.8285	0.261	2	124.0908	0.500	6	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O){1|C<4>,1|O<2>,3|C<3>}	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1	106.9896	12.670	161	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:P-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-4:	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|P<4>}	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	106.5230	0.000	1	106.5230	0.000	1	106.5230	0.000	1	106.5230	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH)	C[5](C[5]C[6a]N[5])(C[5]C[5]CO)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CO)(COO){1|C<4>,1|O<1>,2|C<3>}	111.7150	0.950	2	111.7150	0.903	2	111.1317	1.472	3	111.1317	1.472	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH){2|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(COO){1|C<4>,1|O<1>,2|C<3>}	109.9650	0.000	1	109.9650	0.000	1	111.1317	1.472	3	111.1317	1.472	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H){1|C<4>,1|O<1>,4|C<3>}	111.5150	1.301	2	111.5150	1.693	2	111.5150	1.693	2	111.5150	1.693	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	4:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]O){1|C<4>,6|C<3>}	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]O[5]CH)(O)	C[5](C[5]C[6a]N[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]O[5]CH)(O){1|O<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	105.9740	0.419	2	105.9740	0.175	2	105.9740	0.175	2	105.9740	0.175	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|C<4>}	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]O)	N[5](C[5]C[5a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]CC)(O){3|C<3>}	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	104.7270	0.000	1	104.7270	0.000	1	104.7270	0.000	1	104.7270	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5]N[5]2)(N[5]C[5]H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](C[5]N[5]2)(N[5]C[5]H)2	C[5](C[5]N[5]2)(N[5]C[5]H)2{2|C<4>,6|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){2|N<3>,3|H<1>}	C[5](C[5]N[5]2)(N[5]C[5]H)2{2|C<4>,6|H<1>}	122.7823	0.408	6	122.7823	0.166	6	122.7823	0.166	6	121.0286	21.668	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CC[6a]2)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(O){1|N<2>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CC[6a]2){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	110.5060	0.000	1	110.5060	0.000	1	110.5060	0.000	1	121.0286	21.668	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]S[5])(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H)	C[5](C[5]C[5]S[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5](C[5]C[5]N[5])(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|S<2>}	104.6170	0.000	1	104.6170	0.000	1	104.6170	0.000	1	104.3028	0.228	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5,5]C[5])(C[5]N[5]H)(N[5]N[5]C){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){2|C<4>,3|C<3>}	104.2860	0.000	1	104.2860	0.000	1	104.2860	0.000	1	104.3028	0.228	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	104.7340	0.710	2	104.2532	0.297	6	104.2532	0.297	6	104.3028	0.228	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:2:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(CC[6a]HH)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	104.0127	0.309	4	104.2532	0.297	6	104.2532	0.297	6	104.3028	0.228	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:3:	3:2:2:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[3]-4:C[5]-3:	C[5]-3:S[5]-2:S-2:	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]S[5]S)	N[5](C[5]C[6a]C[5])(C[3]C[3]2H)(C[5]S[5]N)	C[5](C[5]C[6a]N[5])(S[5]C[5])(SC[6a])	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]S[5]S){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[3]C[3]2H)(C[5]S[5]N){1|S<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(SC[6a]){1|C<4>,1|N<2>,2|C<3>}	112.8080	0.000	1	112.8080	0.000	1	112.8080	0.000	1	112.8080	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C-4:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(CC[5]N[5]H)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Cu<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(CC[5]N[5]H)(N[5]C[5]Cu){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])2(H){1|Cu<3>,1|C<4>,4|C<3>}	106.5760	0.673	2	106.5760	0.453	2	106.5760	0.453	2	105.9885	0.663	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Ir)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Ir<6>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Ir){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|Ir<6>,1|C<4>,2|C<3>}	106.5440	0.000	1	106.5440	0.000	1	105.6947	0.609	4	105.9885	0.663	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Pd)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Pd<4>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Pd){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>}	105.2780	0.871	2	105.2780	0.759	2	105.6947	0.609	4	105.9885	0.663	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Rh)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Rh<6>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Rh){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|Rh<6>,1|C<4>,2|C<3>}	105.6790	0.000	1	105.6790	0.000	1	105.6947	0.609	4	105.9885	0.663	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	106.5970	0.554	2	106.5970	0.307	2	106.5970	0.307	2	106.5970	0.307	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:3:	4:3:3:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(COO)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(COO)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(COO){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(COO){1|H<1>,4|C<3>}	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:3:2:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:Si[5]-4:C-4:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C)	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5])	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3){3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	113.6330	0.000	1	113.4290	0.083	2	113.4290	0.083	2	113.4290	0.083	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:3:2:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:Si[5]-4:C-4:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C)	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5])	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C){2|H<1>,2|N<3>,4|C<3>}	N[5](C[5]C[6a]C[5])(Si[5]O[5]NN)(CC3){3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	113.2250	0.000	1	113.4290	0.083	2	113.4290	0.083	2	113.4290	0.083	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	N[5](C[5]C[5a]C[5])(C[5]N[5]DyO)(CH3)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Dy<15>,1|H<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]DyO)(CH3){1|C<4>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Dy<15>,1|H<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>}	107.0057	0.788	6	107.0057	0.620	6	107.0057	0.620	6	109.1600	11.161	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	B[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]B[5]HH)(CC[6a]HH)	C[5](B[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[6a]C[6a]2)(N[5]C[5]C){4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]B[5]HH)(CC[6a]HH){4|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	114.5860	0.000	1	114.5860	0.000	1	114.5860	0.000	1	109.1600	11.161	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(CCHH){1|O<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O){1|O<2>,2|C<3>,2|C<4>}	112.9100	0.877	2	112.9100	0.769	2	112.9100	0.769	2	109.1600	11.161	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO){3|C<4>,6|C<3>}	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:4:3:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5,5]-4:S-4:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(SC[6a]OO)	C[5](C[5]C[6a]N[5])(C[5]C[5,5]HH)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(SC[6a]OO){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5,5]HH)(COO){1|C<4>,1|S<4>,3|C<3>}	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	4:3:1:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:S-4:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5,5]CH)(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5])(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5]S){3|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5,5]CH)(SC[6a]OO){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5])(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	110.5175	0.289	2	110.5175	0.084	2	110.5175	0.084	2	110.5175	0.084	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]HH)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]HH){1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CCO){2|C<4>,5|C<3>}	111.4170	0.000	1	111.4170	0.000	1	111.4170	0.000	1	111.4170	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:1:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]O)	N[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[6a]N[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]N[5])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.5870	0.000	1	106.5870	0.000	1	106.5870	0.000	1	106.5870	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:1:	3:3:2:	C[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:O-1:	C[5]-3:N[5]-3:N-2:	C[5](C[5]N[5]N)(N[5]C[5]O)(NHH)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]N)(O)	C[5](C[5]N[5]N)(N[5]C[5]H)(NO)	C[5](C[5]N[5]N)(N[5]C[5]O)(NHH){1|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]N)(O){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]N[5]N)(N[5]C[5]H)(NO){1|C<3>,1|H<1>,1|O<1>}	107.1590	0.000	1	107.1590	0.000	1	107.1590	0.000	1	107.6345	0.452	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:1:	3:3:2:	N[5a]-3:C[5]-3:N[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[6a]N[5])(N[5]C[5,6]O)	N[5](C[5,6]C[6]2N[5])(C[5]N[5a]C[5])(O)	C[5](C[5]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[6a]N[5])(N[5]C[5,6]O){1|N<2>,2|C<4>,4|C<3>}	N[5](C[5,6]C[6]2N[5])(C[5]N[5a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5,6]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	108.1100	0.000	1	108.1100	0.000	1	108.1100	0.000	1	107.6345	0.452	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:1:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(H){1|O<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	111.5230	0.000	1	111.5230	0.000	1	111.5230	0.000	1	111.5230	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:2:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ga[5,5]-4:C[5]-3:C-2:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH)	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CC)	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH){1|C<4>,2|N<3>}	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CC){3|C<3>,3|C<4>}	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH){1|C<2>,2|N<3>}	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:2:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(OPt)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(OPt){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	108.4970	0.000	1	108.4970	0.000	1	108.4970	0.000	1	108.4970	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(COO)	N[5](C[5]C[5]CH)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(COO){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|C<4>,1|H<1>}	111.0730	0.000	1	111.0730	0.000	1	110.8540	0.360	3	110.2352	16.624	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(COO)	N[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(COO){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,2|H<1>}	111.3140	0.000	1	111.3140	0.000	1	110.8540	0.360	3	110.2352	16.624	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CHO)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(COO){1|O<2>,2|C<3>}	N[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CHO){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|O<2>,2|C<3>}	110.1750	0.000	1	110.1750	0.000	1	110.8540	0.360	3	110.2352	16.624	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:C-3:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[5]H)	N[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5]C[5]C[6])(C[5]N[5]C)(O)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[5]H){1|H<1>,1|O<1>,3|C<4>}	N[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,3|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]C)(O){1|H<1>,1|O<1>,3|C<4>}	105.9655	0.361	2	105.9655	0.131	2	105.9655	0.131	2	110.2352	16.624	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:N-3:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC)	N[5](Si[5]C[5]SiN)(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[5]Si[5]N)(C[5]N[5]N)(H)	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC){1|Si<4>,1|N<2>,1|N<3>,2|C<3>}	N[5](Si[5]C[5]SiN)(C[6a]C[6a]2)(C[5]C[5]N){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]Si[5]N)(C[5]N[5]N)(H){1|Si<4>,1|C<3>,1|N<2>}	116.9180	0.000	1	116.9180	0.000	1	116.9180	0.000	1	110.2352	16.624	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:3:2:	C[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(N[5]C[5]C)(NHH)	N[5](C[5]C[5]CC)(C[5]C[5]N)(CHO)	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(CN)	C[5](C[5]C[5]C)(N[5]C[5]C)(NHH){3|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]N)(CHO){1|C<2>,1|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(CN){5|C<3>}	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(COO)	N[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(COO){2|C<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(COO){1|C<3>,2|C<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C){3|C<3>,4|H<1>}	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	112.3100	0.863	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:4:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]O){1|H<1>,4|C<3>}	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	112.3100	0.863	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(CCO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(CCO){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H){1|N<3>,2|H<1>,5|C<3>}	110.6370	0.000	1	110.6370	0.000	1	110.6370	0.000	1	110.6370	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(CC[6a]O)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]C)(CC[6a]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(CC[6a]O){2|N<2>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]C)(CC[6a]O){1|N<2>,1|N<3>,4|C<3>}	114.1990	0.000	1	114.1990	0.000	1	113.7225	0.454	2	113.7225	0.454	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	4:3:3:	N[5]-3:C[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(COO)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]C)(COO)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(COO){2|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]C)(COO){1|O<1>,1|O<2>,3|C<3>}	113.2460	0.000	1	113.2460	0.000	1	113.7225	0.454	2	113.7225	0.454	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:S-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(CC[6a]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CC[6a]2){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	105.9130	0.000	1	105.9130	0.000	1	105.9130	0.000	1	105.9130	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:2:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[5]C)(N[5]C[5]C)(CCC)	N[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(CN)	C[5](C[5]C[5]C)(N[5]C[5]C)(CCC){1|C<3>,1|C<4>,1|O<2>}	N[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CN){1|O<2>,2|C<4>}	106.7510	0.000	1	106.7510	0.000	1	106.7510	0.000	1	106.7510	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]2)	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]2){1|C<4>,4|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	105.4360	0.000	1	105.4360	0.000	1	105.4360	0.000	1	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ga[5,5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH)	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH)	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH){1|C<2>,2|N<3>}	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH){1|C<2>,2|C<4>,3|C<3>}	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH){1|C<4>,2|N<3>}	114.1220	0.000	1	113.9533	0.118	3	113.9533	0.118	3	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ga[5,5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH)	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH)	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH){1|C<4>,2|N<3>}	N[5](Ga[5,5]N[5]3)(C[5]C[5]C)(CCHH){1|C<2>,2|C<4>,3|C<3>}	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH){1|C<4>,2|N<3>}	113.8690	0.440	2	113.9533	0.118	3	113.9533	0.118	3	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ga[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ga[5]C)(C[5]N[5]C)(CCH)	N[5](Ga[5]N[5]CO)(C[5]C[5]C)(CCCH)	C[5](N[5]Ga[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ga[5]C)(C[5]N[5]C)(CCH){1|O<3>,2|C<4>}	N[5](Ga[5]N[5]CO)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>}	C[5](N[5]Ga[5]C)(C[5]N[5]C)(CCH){1|O<3>,2|C<4>}	113.7815	0.155	4	113.7815	0.024	4	113.7815	0.024	4	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]C[6a]N[5]O)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<3>,1|C<4>,1|O<2>}	N[5](Ge[5]C[6a]N[5]O)(C[5]C[5]C)(CCHH){1|C<4>,3|C<3>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<3>,1|C<4>,1|O<2>}	113.3640	0.076	2	113.3640	0.006	2	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]C[6a]N[5]S)(C[5]C[5]C)(CC3)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<3>,1|C<4>,1|S<1>}	N[5](Ge[5]C[6a]N[5]S)(C[5]C[5]C)(CC3){1|C<4>,3|C<3>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<3>,1|C<4>,1|S<1>}	113.1760	0.837	2	113.8555	0.886	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]C[6a]N[5]S)(C[5]C[5]C)(CC3)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<3>,1|C<4>,1|S<2>}	N[5](Ge[5]C[6a]N[5]S)(C[5]C[5]C)(CC3){1|C<4>,3|C<3>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<3>,1|C<4>,1|S<2>}	114.5350	0.331	2	113.8555	0.886	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]C[6a]N[5]Se)(C[5]C[5]C)(CC3)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<3>,1|C<4>}	N[5](Ge[5]C[6a]N[5]Se)(C[5]C[5]C)(CC3){1|C<4>,3|C<3>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<3>,1|C<4>}	113.8230	0.513	2	113.6587	0.138	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]C[6a]N[5]Se)(C[5]C[5]C)(CC3)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<2>,1|C<3>,1|C<4>}	N[5](Ge[5]C[6a]N[5]Se)(C[5]C[5]C)(CC3){1|C<4>,3|C<3>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<2>,1|C<3>,1|C<4>}	113.4945	0.207	2	113.6587	0.138	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]BrS)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Br<1>,1|C<4>,1|S<1>}	N[5](Ge[5]N[5]BrS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Br<1>,1|C<4>,1|S<1>}	113.0805	0.384	2	113.0805	0.147	2	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]BrSe)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Br<1>,1|Se<1>,1|C<4>}	N[5](Ge[5]N[5]BrSe)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Br<1>,1|Se<1>,1|C<4>}	112.9845	0.344	2	112.9845	0.119	2	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<2>,1|C<4>,1|O<2>}	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<2>,1|C<4>,1|O<2>}	113.4225	0.329	2	113.1902	0.108	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|O<2>,2|C<4>}	N[5](Ge[5]N[5]CO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|O<2>,2|C<4>}	112.9580	0.033	2	113.1902	0.108	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cd<4>,2|C<4>}	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cd<4>,2|C<4>}	113.1164	0.550	5	113.1164	0.302	5	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]ClCu)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|Cu<4>,1|C<4>}	N[5](Ge[5]N[5]ClCu)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|Cu<4>,1|C<4>}	112.9038	0.412	4	112.9038	0.170	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]ClO)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|C<4>,1|O<2>}	N[5](Ge[5]N[5]ClO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|C<4>,1|O<2>}	113.3075	0.565	2	113.3075	0.319	2	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]CuO)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cu<4>,1|C<4>,1|O<2>}	N[5](Ge[5]N[5]CuO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cu<4>,1|C<4>,1|O<2>}	112.6754	0.509	12	112.6754	0.259	12	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]FS)(C[5]C[5]C)(CC3)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|F<1>,1|S<1>}	N[5](Ge[5]N[5]FS)(C[5]C[5]C)(CC3){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|F<1>,1|S<1>}	113.9215	0.028	2	113.9215	0.001	2	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]FeO)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Fe<5>,1|C<4>,1|O<2>}	N[5](Ge[5]N[5]FeO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Fe<5>,1|C<4>,1|O<2>}	113.0328	0.676	4	113.0328	0.457	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]NO)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|O<2>}	N[5](Ge[5]N[5]NO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|O<2>}	113.7200	0.252	2	113.7200	0.063	2	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]NS)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|S<1>}	N[5](Ge[5]N[5]NS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|S<1>}	113.0195	0.207	2	113.0195	0.043	2	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]OO)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,2|O<2>}	N[5](Ge[5]N[5]OO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,2|O<2>}	113.4612	0.180	6	113.4612	0.032	6	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CC3)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,1|S<1>}	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CC3){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,1|S<1>}	113.8680	0.595	4	113.8680	0.355	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,1|S<1>}	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,1|S<1>}	112.9295	0.514	4	112.9607	0.202	6	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,1|S<2>}	N[5](Ge[5]N[5]OS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,1|S<2>}	113.0230	0.454	2	112.9607	0.202	6	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]PtC)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Pt<4>,2|C<4>}	N[5](Ge[5]N[5]PtC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Pt<4>,2|C<4>}	113.2110	0.775	16	113.2110	0.600	16	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SS)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|S<1>,1|S<2>}	N[5](Ge[5]N[5]SS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|S<1>,1|S<2>}	113.1070	0.269	6	113.1070	0.072	6	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]Se2)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|Se<2>,1|C<4>}	N[5](Ge[5]N[5]Se2)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|Se<2>,1|C<4>}	113.0445	0.556	2	113.0445	0.310	2	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SeC)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<2>,2|C<4>}	N[5](Ge[5]N[5]SeC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<2>,2|C<4>}	113.1840	0.294	2	113.1840	0.087	2	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SeN)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|N<3>}	N[5](Ge[5]N[5]SeN)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|N<3>}	112.9840	0.173	2	112.9840	0.030	2	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CC3)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|O<2>}	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CC3){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|O<2>}	114.0795	0.253	4	114.0795	0.064	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|O<2>}	N[5](Ge[5]N[5]SeO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|O<2>}	113.2070	0.273	4	113.2070	0.075	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|S<2>}	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|S<2>}	113.0305	0.650	2	113.1577	0.185	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<2>,1|C<4>,1|S<1>}	N[5](Ge[5]N[5]SeS)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<2>,1|C<4>,1|S<1>}	113.2850	0.260	2	113.1577	0.185	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]TeN)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Te<1>,1|C<4>,1|N<3>}	N[5](Ge[5]N[5]TeN)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Te<1>,1|C<4>,1|N<3>}	113.2825	0.155	2	113.2825	0.024	2	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]TeO)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Te<1>,1|C<4>,1|O<2>}	N[5](Ge[5]N[5]TeO)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Te<1>,1|C<4>,1|O<2>}	113.2034	0.689	10	113.2034	0.475	10	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]ZnC)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Zn<4>,2|C<4>}	N[5](Ge[5]N[5]ZnC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Zn<4>,2|C<4>}	113.1445	0.712	4	113.1445	0.507	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5a]N[5]O)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|O<2>}	N[5](Ge[5]N[5a]N[5]O)(C[5]C[5]C)(CCHH){1|C<4>,3|C<3>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|O<2>}	113.7775	0.224	2	113.7775	0.050	2	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5a]N[5]S)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|S<1>}	N[5](Ge[5]N[5a]N[5]S)(C[5]C[5]C)(CCHH){1|C<4>,3|C<3>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|S<1>}	112.9853	0.139	4	112.9853	0.019	4	113.2244	0.342	129	113.1997	0.791	137	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:4:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:S-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC[6a]OO)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S){5|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC[6a]OO){2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,3|H<1>,5|C<3>}	110.7000	0.000	1	110.7000	0.000	1	110.7000	0.000	1	110.7000	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:4:3:	C[6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:S-4:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(SC[6a]OO)	C[5](C[5]C[6a]N[5])(C[5]C[5,5]HH)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C){4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(SC[6a]OO){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5,5]HH)(COO){1|S<4>,4|C<3>}	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:C-3:	C[5,5]-4:C[5]-3:S-4:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(COO)	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]C)(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C)(H)	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(COO){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]C)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]C)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	4:3:2:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]C[5]S)(CC[6a]2)	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[5]HH)(C[5]N[5]C)(NO)	C[5](C[5]C[5]N)(N[5]C[5]S)(CC[6a]2){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO){1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(NO){1|S<4>,2|H<1>}	106.5950	0.000	1	106.5950	0.000	1	106.5950	0.000	1	107.8505	3.153	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	4:3:2:	C[5]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:S-4:	C[5,5]-4:C[5]-3:C-2:	C[5](C[5]C[5,5]C)(N[5]C[5]S)(NHH)	N[5](C[5]C[5,5]HH)(C[5]C[5]N)(SCOO)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN)	C[5](C[5]C[5,5]C)(N[5]C[5]S)(NHH){2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]N)(SCOO){1|C<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]N)(CN){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	107.8505	3.153	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:C-3:	C[3x5]-4:C[5]-3:C-4:	C[3x5]-4:C[5]-3:C-3:	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(COO)	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH)	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO)	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(COO){1|O<2>,3|C<3>}	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH){6|C<3>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|C<3>}	114.1240	0.000	1	114.1240	0.000	1	114.1240	0.000	1	113.7820	0.234	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:C-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(COO)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C)(COO)	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(COO){1|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CC[6a]HH){1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C)(COO){1|C<4>,1|H<1>,3|C<3>}	113.4400	0.000	1	113.4400	0.000	1	113.4400	0.000	1	113.7820	0.234	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	5:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[4,5]-5:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|C<4>,2|O<2>}	N[5](Ge[4,5]N[5]O[4]2Cl)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|C<4>,2|O<2>}	112.6885	0.161	2	112.6885	0.026	2	112.7528	0.030	8	112.7528	0.030	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	5:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[4,5]-5:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,2|O<2>}	N[5](Ge[4,5]N[5]O[4]2N)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,2|O<2>}	112.7825	0.233	2	112.7825	0.054	2	112.7528	0.030	8	112.7528	0.030	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	5:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[4,5]-5:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,3|O<2>}	N[5](Ge[4,5]N[5]O[4]2O)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<3>,1|C<4>}	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,3|O<2>}	112.8445	0.309	2	112.8445	0.095	2	112.7528	0.030	8	112.7528	0.030	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:3:	5:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[4,5]-5:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,2|O<2>}	N[5](Ge[4,5]N[5a]N[5]O[4]2)(C[5]C[5]C)(CCHH){1|Ge<5>,1|C<4>,3|C<3>}	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,2|O<2>}	112.6955	0.059	2	112.6955	0.003	2	112.7528	0.030	8	112.7528	0.030	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:1:	3:2:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:C-3:	C[5](C[5]N[5]C)(N[5]O[5]O)(CH3)	N[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5]N[5]C)(N[5]O[5])(CHN)	C[5](C[5]N[5]C)(N[5]O[5]O)(CH3)	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C[5](C[5]N[5]C)(N[5]O[5])(CHN){1|O<1>}	105.9837	0.334	10	105.9837	0.111	10	105.9837	0.111	10	105.9837	0.111	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]H)(CHHO)	N[5](C[5]C[5]C)(N[5]N[5])(H)	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]H)(CHHO){1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|H<1>}	104.6460	0.000	1	104.6460	0.000	1	104.6460	0.000	1	104.6460	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CH3)	N[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[5a]N[5a]2)(C[5]N[5]C)(N[5]O[5])	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CH3){2|N<2>}	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C[5](C[5a]N[5a]2)(C[5]N[5]C)(N[5]O[5]){1|C<3>,1|O<1>,1|O<2>}	105.5540	0.000	1	105.5540	0.000	1	105.5540	0.000	1	106.1050	0.607	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]O[5]O)(CN[6]HH)	N[5](C[5]C[5]C)(O[5]N[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5])	C[5](C[5]C[6a]N[5])(N[5]O[5]O)(CN[6]HH){2|C<3>}	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	106.6560	0.000	1	106.6560	0.000	1	106.6560	0.000	1	106.1050	0.607	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]O[5]O)(CH3)	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]O[5]O)(CH3){2|H<1>}	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H){1|O<1>}	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:4:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:Se[5]-2:C-4:	C[5](C[5]Se[5]C)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]Se[5])(CH3)	C[5](C[5]N[5]C)(Se[5]N[5])(CCHH)	C[5](C[5]Se[5]C)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]Se[5])(CH3){1|C<4>}	C[5](C[5]N[5]C)(Se[5]N[5])(CCHH){1|C<4>}	112.8980	0.817	3	112.8980	0.668	3	112.8980	0.668	3	112.8980	0.668	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH){1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	104.2643	0.290	3	104.2643	0.084	3	104.8682	0.285	11	104.8113	0.352	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[5]HH){1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	105.0720	0.171	2	105.0720	0.029	2	104.8682	0.285	11	104.8113	0.352	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN){1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	104.5850	0.000	1	104.5850	0.000	1	104.8682	0.285	11	104.8113	0.352	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHO)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(N[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHO){1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]N[5]C)(H){1|C<4>}	105.2056	0.455	5	105.2056	0.207	5	104.8682	0.285	11	104.8113	0.352	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CCHH){1|C<3>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	104.4780	0.000	1	104.4780	0.000	1	104.9282	0.380	4	104.8113	0.352	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](N[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]HH){1|C<4>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]N[5])(C[5]N[5]C)(H){1|Fe<10>,3|C<4>}	105.7930	0.000	1	105.7930	0.000	1	104.9282	0.380	4	104.8113	0.352	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH)	N[5](C[5]C[5]C)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CN[5]HH){1|C<3>}	N[5](C[5]C[5]C)(N[5]N[5])(CH3){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	104.7210	0.321	2	104.7210	0.103	2	104.9282	0.380	4	104.8113	0.352	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:4:	3:3:1:	C[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(SiClHN)	N[5](C[5]C[5]Si)(C[5]N[5])(CC3)	C[5](C[5]N[5]Si)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(SiClHN){1|C<4>}	N[5](C[5]C[5]Si)(C[5]N[5])(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]Si)(N[5]C[5]C)(H){1|C<4>}	103.7180	0.000	1	103.7180	0.000	1	103.7180	0.000	1	104.8113	0.352	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-2:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5])(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5])(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	106.5333	0.612	3	106.5333	0.374	3	106.3064	0.300	5	106.3064	0.300	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-2:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5])(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5])(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	106.1460	0.000	1	106.1460	0.000	1	106.3064	0.300	5	106.3064	0.300	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:2:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-2:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5])(CSiHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5])(CSiHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>}	105.7860	0.000	1	105.7860	0.000	1	106.3064	0.300	5	106.3064	0.300	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(CCHH)	N[5](C[5]C[5]C)(C[5]S[5]N)(H)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(CCHH){1|N<2>}	N[5](C[5]C[5]C)(C[5]S[5]N)(H){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|H<1>,1|N<2>}	111.4280	0.000	1	111.4280	0.000	1	111.1690	0.791	12	111.1690	0.791	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(CClHH)	N[5](C[5]C[5]C)(C[5]S[5]N)(H)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(CClHH){1|N<3>}	N[5](C[5]C[5]C)(C[5]S[5]N)(H){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|H<1>,1|N<3>}	112.3545	0.336	2	112.3545	0.113	2	111.1690	0.791	12	111.1690	0.791	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(H)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(CH3){1|N<3>}	N[5](C[5]C[5]C)(C[5]S[5]N)(H){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|H<1>,1|N<3>}	110.6746	0.769	7	110.6746	0.591	7	111.1690	0.791	12	111.1690	0.791	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]S)(H)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]H)(CH3){1|S<2>}	N[5](C[5]C[5]C)(C[5]S[5]S)(H){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|H<1>,1|S<2>}	111.5845	0.326	2	111.5845	0.106	2	111.1690	0.791	12	111.1690	0.791	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:2:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(H)	C[5](C[5]N[5]C)(S[5]C[5])(COO)	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|N<3>}	N[5](C[5]C[5]C)(C[5]S[5]N)(H){1|C<3>}	C[5](C[5]N[5]C)(S[5]C[5])(COO){1|H<1>,1|N<3>}	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1	111.0580	0.583	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:2:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:O-1:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]C)(O)	C[5](C[5]N[5]C)(S[5]C[5])(CCO)	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3){1|C<4>}	N[5](C[5]C[5]C)(C[5]S[5]C)(O){1|C<3>}	C[5](C[5]N[5]C)(S[5]C[5])(CCO){1|C<4>,1|O<1>}	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	111.0580	0.583	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(H)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|N<3>}	N[5](C[5]C[5]C)(C[5]S[5]N)(H){1|C<4>}	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|H<1>,1|N<3>}	112.2530	0.000	1	112.2530	0.000	1	112.1370	0.027	2	112.1370	0.027	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]S)(H)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|S<1>}	N[5](C[5]C[5]C)(C[5]S[5]S)(H){1|C<4>}	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|H<1>,1|S<1>}	112.0210	0.000	1	112.0210	0.000	1	112.1370	0.027	2	112.1370	0.027	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3)	N[5](C[5]C[5]C)(C[5]N[5]S)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3){1|C<4>,1|S<1>}	N[5](C[5]C[5]C)(C[5]N[5]S)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|H<1>,1|S<1>}	104.9840	0.000	1	104.9840	0.000	1	105.8102	0.414	123	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC3){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<8>,1|H<1>}	105.7847	0.272	3	105.7847	0.074	3	105.8102	0.414	123	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	107.2030	0.000	1	107.2030	0.000	1	105.8102	0.414	123	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	105.8483	0.663	77	105.8483	0.439	77	105.8102	0.414	123	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6]HH)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6]HH){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	105.3735	0.351	2	105.3735	0.124	2	105.8102	0.414	123	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]2H)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CC[6a]2H){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	105.5523	0.167	6	105.5523	0.028	6	105.8102	0.414	123	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.0620	0.000	1	106.0620	0.000	1	105.8102	0.414	123	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	104.5900	0.000	1	104.5900	0.000	1	105.8102	0.414	123	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|B<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|B<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]B)(H){2|H<1>}	106.8010	0.000	1	106.8010	0.000	1	105.8102	0.414	123	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	105.7676	0.614	29	105.7676	0.378	29	105.8102	0.414	123	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CHHO)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CHHO){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|H<1>}	106.0190	0.000	1	106.0190	0.000	1	105.8102	0.414	123	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CCHH){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H){2|H<1>}	105.1440	0.000	1	105.1440	0.000	1	105.0593	0.241	10	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Cu<5>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Cu<5>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H){1|C<4>,1|H<1>}	105.1735	0.518	2	105.1735	0.269	2	105.0593	0.241	10	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Cu<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Cu<4>,1|H<1>}	C[5](N[5]C[5]Cu)(C[5]N[5]C)(H){2|H<1>}	104.8310	0.000	1	104.8310	0.000	1	105.0593	0.241	10	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Fe<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|H<1>}	C[5](N[5]C[5]Fe)(C[5]N[5]C)(H){2|H<1>}	105.8070	0.000	1	105.8070	0.000	1	105.0593	0.241	10	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Ni<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|H<1>}	C[5](N[5]C[5]Ni)(C[5]N[5]C)(H){2|H<1>}	104.7280	0.438	4	104.7280	0.192	4	105.0593	0.241	10	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CH3){1|Ru<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Ru<6>,1|H<1>}	C[5](N[5]C[5]Ru)(C[5]N[5]C)(H){2|H<1>}	105.5520	0.000	1	105.5520	0.000	1	105.0593	0.241	10	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|B<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|B<4>,1|H<1>}	106.2260	0.000	1	106.2260	0.000	1	106.8617	1.776	57	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|B<4>,1|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	106.0693	0.333	3	106.0693	0.111	3	106.8617	1.776	57	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){2|H<1>}	107.0345	0.077	2	107.0345	0.006	2	106.8617	1.776	57	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]B)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|B<4>,1|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]B)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	106.2059	0.546	7	106.2059	0.298	7	106.8617	1.776	57	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){2|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|C<4>,1|H<1>}	110.1610	0.824	2	110.1610	0.680	2	106.8617	1.776	57	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	108.2480	0.000	1	108.2480	0.000	1	106.8617	1.776	57	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	107.3750	0.000	1	107.3750	0.000	1	106.8617	1.776	57	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){2|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|H<1>}	107.1741	0.209	7	107.1741	0.044	7	106.8617	1.776	57	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|H<1>,1|N<3>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]C)(C[5]N[5]N)(H){2|H<1>}	107.8878	0.196	5	107.8878	0.038	5	106.8617	1.776	57	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){2|H<1>}	106.6125	1.508	26	106.6125	2.274	26	106.8617	1.776	57	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|C<4>,1|W<6>}	N[5](C[5]C[5]C)(N[5]C[5]W)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|H<1>,1|W<6>}	105.8235	0.657	2	105.8235	0.432	2	106.8617	1.776	57	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3){1|Cu<5>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H){1|Br<1>,1|C<4>}	C[5](C[5]N[5]C)2(Br){1|Cu<5>,1|H<1>}	105.0457	0.197	4	105.0457	0.039	4	105.1287	0.374	6	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3){1|Fe<5>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H){1|Br<1>,1|C<4>}	C[5](C[5]N[5]C)2(Br){1|Fe<5>,1|H<1>}	106.2090	0.000	1	105.2945	1.673	2	105.1287	0.374	6	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H){1|Br<1>,1|C<4>}	C[5](C[5]N[5]C)2(Br){1|Fe<6>,1|H<1>}	104.3800	0.000	1	105.2945	1.673	2	105.1287	0.374	6	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]C)2(Cl){1|Fe<6>,1|H<1>}	105.0760	0.000	1	105.0760	0.000	1	105.0760	0.000	1	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Cr<5>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|H<1>}	105.9810	0.000	1	105.9810	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Cu<4>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	106.0840	0.000	1	106.0840	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Cu<6>,1|H<1>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Cu<6>,1|H<1>}	105.9015	0.199	2	105.9015	0.039	2	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Fe<6>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	106.7573	0.528	6	106.7573	0.279	6	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Fe<6>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|H<1>}	105.8702	0.074	4	105.8702	0.005	4	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Ir<6>,1|C<3>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	106.4426	1.679	5	106.4426	2.820	5	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Li)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Li<4>,1|C<4>}	N[5](N[5]C[5]Li)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Li<4>,1|H<1>}	105.2650	0.000	1	105.2650	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Pd<4>,1|H<1>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Pd<4>,1|H<1>}	107.2455	0.430	4	107.2455	0.185	4	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	106.4320	0.647	6	106.4320	0.419	6	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Rh<6>,1|C<3>}	N[5](N[5]C[5]Rh)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	106.8130	0.000	1	106.8130	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Ru<9>,1|C<3>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ru<9>,1|C<3>,1|H<1>,1|N<3>}	105.9000	0.000	1	105.9000	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Ru<8>,1|C<3>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ru<8>,1|H<1>,2|C<3>}	105.0250	1.764	2	105.0250	3.110	2	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|Zn<4>,1|H<1>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Zn<4>,1|H<1>}	106.0596	0.288	12	106.0596	0.083	12	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]N)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CC3){1|C<3>,1|N<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]N)(H){1|C<3>,1|H<1>}	107.9220	0.000	1	107.9220	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Cr<5>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|H<1>}	106.0685	0.545	2	106.0370	0.152	3	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Cr<6>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|H<1>}	105.9740	0.000	1	106.0370	0.152	3	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Ni<5>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|H<1>}	105.3920	0.000	1	105.3920	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	N[5](N[5]C[5]Sm)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Sm<8>,1|C<4>}	N[5](N[5]C[5]Sm)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Sm<8>,1|H<1>}	105.7040	0.000	1	105.7040	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CCHH)	N[5](N[5]C[5]Eu)(C[5]C[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCHH){1|Eu<13>,1|C<3>}	N[5](N[5]C[5]Eu)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Eu<13>,1|C<3>,1|H<1>,1|N<3>}	105.9900	0.593	2	105.9900	0.351	2	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3){1|Cu<4>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	106.8830	0.000	1	106.8830	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CF3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	108.4970	0.059	2	108.4970	0.004	2	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Ag)(C[5]C[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ag<5>,1|C<3>}	N[5](N[5]C[5]Ag)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ag<5>,1|C<3>,1|H<1>,1|N<3>}	105.1645	0.009	2	105.1645	0.000	2	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cd<5>,1|C<4>}	N[5](N[5]C[5]Cd)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|H<1>}	105.9190	0.000	1	105.9190	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<4>,1|H<1>}	106.1339	0.572	7	106.3822	0.889	11	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<6>,1|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<6>,1|H<1>}	108.8500	0.000	1	106.3822	0.889	11	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Co<6>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<6>,1|H<1>}	106.1390	0.334	3	106.3822	0.889	11	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|H<1>}	106.2025	0.278	4	106.5079	0.674	14	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<5>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|H<1>}	108.0490	0.000	1	106.5079	0.674	14	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Cu<5>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|H<1>}	106.4723	0.849	9	106.5079	0.674	14	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Eu)(C[5]C[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Eu<13>,1|C<3>}	N[5](N[5]C[5]Eu)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Eu<13>,1|C<3>,1|H<1>,1|N<3>}	106.1040	0.211	2	106.1040	0.044	2	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	106.9408	0.721	4	106.9408	0.519	4	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Fe<4>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<4>,1|H<1>}	106.0350	0.103	2	107.1545	1.676	4	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Fe<6>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|H<1>}	108.2740	0.059	2	107.1545	1.676	4	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ir<6>,1|C<4>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|H<1>}	105.8207	0.618	3	105.8207	0.381	3	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Li)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Li<4>,1|C<4>}	N[5](N[5]C[5]Li)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Li<4>,1|H<1>}	106.3040	0.000	1	106.3040	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|C<3>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	106.6037	0.307	4	106.6037	0.094	4	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|H<1>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mn<6>,1|H<1>}	105.9440	0.515	2	105.9440	0.265	2	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|C<3>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|H<1>}	106.7413	0.499	12	106.5685	0.334	15	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mn<6>,1|C<4>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|H<1>}	105.8773	0.261	3	106.5685	0.334	15	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mo<7>,1|H<1>}	N[5](N[5]C[5]Mo)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Mo<7>,1|H<1>}	106.3550	0.151	2	106.3550	0.023	2	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mo<6>,1|C<4>}	N[5](N[5]C[5]Mo)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|H<1>}	106.5890	0.474	4	106.5146	0.196	5	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Mo<7>,1|C<4>}	N[5](N[5]C[5]Mo)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|H<1>}	106.2170	0.000	1	106.5146	0.196	5	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|H<1>}	105.5300	0.580	2	105.5300	0.336	2	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	106.1230	0.071	2	106.2204	0.095	7	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|H<1>}	106.2594	0.366	5	106.2204	0.095	7	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Os)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Os<6>,1|H<1>}	N[5](N[5]C[5]Os)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Os<6>,1|H<1>}	106.5080	0.000	1	106.5080	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Os)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Os<6>,1|C<4>}	N[5](N[5]C[5]Os)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Os<6>,1|H<1>}	106.8095	0.419	2	106.8095	0.176	2	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|H<1>}	105.9435	0.483	10	105.9435	0.234	10	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Pt)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Pt<4>,1|C<4>}	N[5](N[5]C[5]Pt)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pt<4>,1|H<1>}	106.9040	0.086	2	106.9040	0.007	2	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Re)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Re<5>,1|C<4>}	N[5](N[5]C[5]Re)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Re<5>,1|H<1>}	105.1005	0.202	2	105.6793	0.789	12	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Re)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Re<6>,1|C<4>}	N[5](N[5]C[5]Re)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Re<6>,1|H<1>}	105.7951	0.933	10	105.6793	0.789	12	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Rh<6>,1|C<4>}	N[5](N[5]C[5]Rh)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|H<1>}	105.9920	0.000	1	105.9920	0.000	1	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ru<5>,1|C<4>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<5>,1|H<1>}	106.7900	0.000	1	106.4001	0.143	7	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ru<6>,1|C<4>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|H<1>}	106.5155	0.182	4	106.4001	0.143	7	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Ru<9>,1|C<4>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|H<1>}	105.9745	0.439	2	106.4001	0.143	7	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Sm)(C[5]C[5]C)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Sm<13>,1|C<3>}	N[5](N[5]C[5]Sm)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Sm<13>,1|C<3>,1|H<1>,1|N<3>}	105.9060	0.091	2	105.9060	0.008	2	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|H<1>}	106.4139	0.679	20	106.4139	0.461	20	106.3236	0.616	193	106.1863	0.874	390	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[6a]S[5])(N[5]C[5]H)(CH3){1|S<1>,2|C<3>}	N[5](C[5]C[5]C)(C[5]S[5]S)(H){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	107.3451	9.011	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3)	N[5](C[5]C[5a]S[5])(C[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3){3|C<3>}	N[5](C[5]C[5a]S[5])(C[5]C[5]C)(O){1|C<3>,1|N<2>,1|S<2>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	107.3451	9.011	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:Se-2:	C[5](C[5]C[5]Se)(N[5]N[5]H)(CCHH)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]C)2(SeCl)	C[5](C[5]C[5]Se)(N[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|Se<2>,1|C<4>}	C[5](C[5]N[5]C)2(SeCl){2|H<1>}	106.7390	0.017	2	106.7390	0.000	2	106.7390	0.000	2	107.3451	9.011	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(SC[6])	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(H){1|C<4>,1|S<2>}	C[5](C[5]N[5]C)2(SC[6]){1|Co<4>,1|H<1>}	105.4060	0.000	1	105.4060	0.000	1	105.8056	4.804	5	107.3451	9.011	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:2:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Re)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(SC[5])	C[5](C[5]C[5]S)(N[5]N[5]H)(CH3){1|Re<6>,1|C<4>}	N[5](N[5]C[5]Re)(C[5]C[5]C)(H){1|C<4>,1|S<2>}	C[5](C[5]N[5]C)2(SC[5]){1|Re<6>,1|H<1>}	105.9055	2.518	4	105.9055	6.338	4	105.8056	4.804	5	107.3451	9.011	9	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(CH3)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[6]C[6]2)	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(CH3){4|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[6]C[6]2){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	108.5360	0.000	1	108.5360	0.000	1	108.5360	0.000	1	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]C)(N[5]C[5]O)(CCO)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|C<4>,1|O<2>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|O<2>}	C[5](C[5]N[5]C)(N[5]C[5]O)(CCO){1|C<4>,1|H<1>}	106.5180	0.000	1	106.5180	0.000	1	106.5960	0.012	2	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]C)(N[5]C[5]O)(COO)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|C<4>,1|O<2>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|O<2>}	C[5](C[5]N[5]C)(N[5]C[5]O)(COO){1|C<4>,1|H<1>}	106.6740	0.000	1	106.6740	0.000	1	106.5960	0.012	2	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O)	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|O<2>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|O<2>}	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ag)(C[5]N[5]C)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Ag<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Ag<3>,1|C<3>}	C[5](N[5]C[5]Ag)(C[5]N[5]C)(CHN){2|H<1>}	105.4740	0.000	1	105.4740	0.000	1	104.7579	0.239	13	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Cu<5>,1|C<3>}	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHN){2|H<1>}	104.9600	0.276	2	104.9600	0.076	2	104.7579	0.239	13	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]C)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Fe<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<3>}	C[5](N[5]C[5]Fe)(C[5]N[5]C)(CHN){2|H<1>}	105.1340	0.484	2	105.1340	0.234	2	104.7579	0.239	13	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Mn<6>,1|C<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHN){2|H<1>}	104.7423	0.113	3	104.7423	0.013	3	104.7579	0.239	13	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CNO)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Mn<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Mn<6>,1|C<3>}	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CNO){2|H<1>}	104.0095	0.558	2	104.0095	0.311	2	104.7579	0.239	13	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Ni<6>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|C<3>}	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN){2|H<1>}	104.6483	0.306	3	104.6483	0.094	3	104.7579	0.239	13	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3){1|Co<6>,1|H<1>,2|N<3>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Co<6>,1|C<3>}	C[5](N[5]C[5]Co)(C[5]N[5]2)(C[5]N[5]C){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	104.0890	0.000	1	104.0890	0.000	1	104.2365	0.044	2	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]N[5]C)	C[5](C[5]C[5]N[5])(N[5]C[5]H)(CH3){1|Ni<6>,1|H<1>,2|N<3>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Ni<6>,1|C<3>}	C[5](N[5]C[5]Ni)(C[5]N[5]2)(C[5]N[5]C){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	104.3840	0.000	1	104.3840	0.000	1	104.2365	0.044	2	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]2)(C[5]N[5]C)2	C[5](C[5]C[5]2)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	C[5](C[5]C[5]2)(C[5]N[5]C)2{2|C<4>,2|H<1>,2|N<3>}	107.2040	0.594	26	107.2040	0.353	26	107.2040	0.353	26	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|C<3>,4|H<1>}	107.3350	0.611	2	107.3350	0.373	2	107.3350	0.373	2	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Cd<6>,1|H<1>}	N[5](N[5]C[5]Cd)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(COO){1|Cd<6>,1|H<1>}	106.2500	0.000	1	106.2500	0.000	1	106.5933	0.384	3	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(COO)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Co<6>,1|H<1>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(COO){1|Co<6>,1|H<1>}	106.2210	0.000	1	106.2210	0.000	1	106.5933	0.384	3	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]N)(CCO)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|N<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(H){1|C<3>,1|N<3>}	C[5](C[5]N[5]C)(C[5]N[5]N)(CCO){1|Zn<4>,1|H<1>}	107.3090	0.000	1	107.3090	0.000	1	106.5933	0.384	3	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(NHH)	C[5](C[5]C[5]N)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(H){1|C<4>,1|N<3>}	C[5](C[5]N[5]C)2(NHH){1|Co<4>,1|H<1>}	106.7600	0.659	2	106.7600	0.434	2	106.7600	0.434	2	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Co<6>,1|C<4>,2|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(H){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Co<6>,2|C<3>,3|H<1>}	106.5200	0.000	1	106.5200	0.000	1	105.6920	1.371	2	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(H){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	104.8640	0.000	1	104.8640	0.000	1	105.6920	1.371	2	106.3986	1.582	54	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	107.4980	0.000	1	107.4980	0.000	1	106.4001	0.250	8	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN){2|H<1>}	106.1480	0.000	1	106.1480	0.000	1	106.4001	0.250	8	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHS)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHS){2|H<1>}	106.1165	0.057	2	106.1165	0.003	2	106.4001	0.250	8	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]C)(H){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|H<1>}	106.2310	0.000	1	106.2310	0.000	1	106.4001	0.250	8	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|H<1>}	106.7060	0.000	1	106.7060	0.000	1	106.4001	0.250	8	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHS)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHS){2|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|H<1>}	106.1925	0.326	2	106.1925	0.106	2	106.4001	0.250	8	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CCHH)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(CCHH){1|Zn<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H){1|Zn<4>,1|C<4>,2|C<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CCHH){1|C<3>,1|H<1>}	105.8380	0.146	2	105.8380	0.021	2	105.6306	0.431	12	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Mn<6>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Mn<6>,1|C<4>}	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHHN){1|C<4>,1|H<1>}	105.4225	0.244	4	105.4225	0.060	4	105.6306	0.431	12	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Cu<5>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(H){1|Cu<5>,1|C<4>}	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN){2|H<1>}	105.2940	0.000	1	105.2940	0.000	1	105.6306	0.431	12	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Zn<6>,1|C<3>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(H){1|Zn<6>,1|C<4>,2|N<3>}	C[5](N[5]C[5]Zn)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>}	106.4293	0.636	3	106.4293	0.405	3	105.6306	0.431	12	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN)	C[5](C[5]N[5]C)(N[5]C[5]H)(CHHN){1|Cu<5>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Cu<5>,1|C<4>}	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHHN){1|C<4>,1|H<1>}	104.8095	0.309	2	104.8095	0.095	2	105.6306	0.431	12	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|O<2>}	N[5](C[5]C[5]C)(N[5]C[5]C)(H){1|C<4>,1|O<2>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>}	108.4440	0.272	2	108.4440	0.074	2	107.9680	0.245	70	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]C)2(CC[5]HH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){2|C<4>}	C[5](C[5]N[5]C)2(CC[5]HH){2|H<1>}	107.9786	0.511	54	107.9786	0.261	54	107.9680	0.245	70	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]C)2(CC[5a]HH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){2|C<4>}	C[5](C[5]N[5]C)2(CC[5a]HH){2|H<1>}	107.8590	0.427	14	107.8590	0.182	14	107.9680	0.245	70	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Co<4>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(H){2|C<4>}	C[5](C[5]N[5]C)2(CH3){1|Co<4>,1|H<1>}	107.0323	0.134	4	107.0323	0.018	4	107.2105	0.832	17	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(H){2|C<4>}	C[5](C[5]N[5]C)2(CH3){1|Ni<6>,1|H<1>}	106.4785	1.155	4	106.4785	1.335	4	107.2105	0.832	17	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(CC[5]HH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(H){2|C<4>}	C[5](C[5]N[5]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	107.5293	0.902	6	107.5293	0.814	6	107.2105	0.832	17	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(CC[5a]HH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(H){2|C<4>}	C[5](C[5]N[5]C)2(CC[5a]HH){1|Zn<4>,1|H<1>}	106.9560	0.000	1	106.9560	0.000	1	107.2105	0.832	17	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<3>,1|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|H<1>}	107.8290	0.000	1	107.8290	0.000	1	107.2105	0.832	17	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]H)(CH3){1|C<3>,1|O<2>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>}	108.5750	0.000	1	108.5750	0.000	1	107.2105	0.832	17	107.4683	0.990	107	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:4:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C-4:O[5]-2:	C[5](C[5]O[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]O[5]S)(H)	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5])	C[5](C[5]O[5]C)(N[5]C[5]H)(CH3){1|S<1>}	N[5](C[5]C[5]C)(C[5]O[5]S)(H){1|C<4>}	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5]){1|H<1>,1|S<1>}	104.8850	0.414	2	104.8850	0.172	2	104.8850	0.172	2	109.8210	9.597	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:4:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C-4:S[5]-2:	C[5](C[5]S[5]C)(N[5]C[5]H)(CC3)	N[5](C[5]C[5]C)(C[5]S[5]N)(H)	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5])	C[5](C[5]S[5]C)(N[5]C[5]H)(CC3){1|N<3>}	N[5](C[5]C[5]C)(C[5]S[5]N)(H){1|C<4>}	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5]){1|H<1>,1|N<3>}	111.2170	0.206	5	111.2170	0.043	5	111.4663	0.407	6	109.8210	9.597	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:4:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-3:C-4:S[5]-2:	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(H)	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5])	C[5](C[5]S[5]C)(N[5]C[5]H)(CH3){1|N<3>}	N[5](C[5]C[5]C)(C[5]S[5]N)(H){1|C<4>}	C[5](C[5]N[5]C)(CC[6a]HH)(S[5]C[5]){1|H<1>,1|N<3>}	112.7130	0.000	1	112.7130	0.000	1	111.4663	0.407	6	109.8210	9.597	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C-4:N[5]-3:C[5]-3:	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Mn<6>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(H){1|Mn<6>,1|C<4>}	C[5](CC[6a]C[5]H)(N[5]C[5]Mn)(C[5]N[5]C){1|C<4>,1|H<1>}	106.0015	0.404	2	106.0015	0.163	2	106.0015	0.163	2	107.6600	3.736	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCO)	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3){1|O<1>,2|H<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCO){1|H<1>,1|O<1>}	109.4660	0.000	1	109.4660	0.000	1	109.3185	0.044	2	107.6600	3.736	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3){1|O<1>,2|H<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO){1|H<1>,1|O<1>}	109.1710	0.000	1	109.1710	0.000	1	109.3185	0.044	2	107.6600	3.736	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:2:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]S)(OC)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3){1|S<1>}	N[5](C[5]C[5]C)(C[5]S[5]S)(OC){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|O<2>,1|S<1>}	110.1720	0.000	1	110.1720	0.000	1	110.6963	0.255	3	110.6963	0.255	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:2:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]S)(OC[6])	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3){1|S<1>}	N[5](C[5]C[5]C)(C[5]S[5]S)(OC[6]){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|O<2>,1|S<1>}	110.7370	0.000	1	110.7370	0.000	1	110.6963	0.255	3	110.6963	0.255	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:2:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]S)(OCo)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]O)(CH3){1|S<2>}	N[5](C[5]C[5]C)(C[5]S[5]S)(OCo){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|O<2>,1|S<2>}	111.1800	0.000	1	111.1800	0.000	1	110.6963	0.255	3	110.6963	0.255	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:2:	3:2:3:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:O[5]-2:N-3:	C[5](N[5]C[6a]N[5])(C[5]O[5]N)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]O[5])	C[5](C[5]N[5]B)(O[5]N[5])(NCH)	C[5](N[5]C[6a]N[5])(C[5]O[5]N)(BC[6a]3){2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]O[5]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]N[5]B)(O[5]N[5])(NCH){1|C<3>}	99.9448	0.104	2	99.9448	0.011	2	99.9448	0.011	2	99.9448	0.011	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:2:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]S)(OH)	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]O)(CH3){1|S<1>}	N[5](C[5]C[5]C)(C[5]S[5]S)(OH){1|C<4>}	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|O<2>,1|S<1>}	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)2(H){1|C<3>}	105.2350	0.315	2	105.2350	0.099	2	105.2350	0.099	2	104.2653	0.660	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CHHN)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](N[5]C[6a]N[5])(C[5]N[5]H)(CHHN){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){3|C<3>}	103.8400	0.000	1	103.8400	0.000	1	103.8400	0.000	1	104.2653	0.660	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:Si-4:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl2N)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl2N){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){3|C<3>}	104.0180	0.000	1	104.0180	0.000	1	103.7607	0.187	3	104.2653	0.660	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:2:	3:3:1:	N[5]-3:C[5]-3:Si-4:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl3)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl3){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){3|C<3>}	103.6320	0.525	2	103.6320	0.275	2	103.7607	0.187	3	104.2653	0.660	6	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:2:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]S)(OC)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3){1|S<1>,2|C<3>}	N[5](C[5]C[5]C)(C[5]S[5]S)(OC){1|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:2:	3:3:3:	C[5]-3:N[5]-3:B-4:	C[6a]-3:C[5]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(BH3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]B)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(BH3){5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]N[5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]B){2|H<1>,5|C<3>}	102.4190	0.000	1	102.4190	0.000	1	102.4190	0.000	1	102.4190	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:2:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:P[5]-2:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]P[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5])	C[5](N[5]C[6a]P[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]P[5])(C[5]N[5]C)(CH3){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5]){3|C<3>,3|C<4>}	C[5](N[5]C[6a]P[5])(C[5]N[5]C)(CH3){3|C<3>}	111.1415	0.554	10	111.1415	0.307	10	111.1415	0.307	10	111.1415	0.307	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[5]S[5]H)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]H)(CH3){1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<3>,1|N<2>}	112.6560	0.000	1	111.6730	0.599	5	111.6730	0.599	5	111.6730	0.599	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[5]S[5]H)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]H)(CH3){1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N){2|C<3>,3|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<3>,1|N<2>}	111.4273	0.629	4	111.6730	0.599	5	111.6730	0.599	5	111.6730	0.599	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	N[5](C[5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]N[5]C)(S[5]C[5])(CCO)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){3|C<3>}	N[5](C[5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,2|H<1>,4|C<3>}	C[5](C[5]N[5]C)(S[5]C[5])(CCO){2|C<3>}	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	112.4133	0.167	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C)	C[5](C[5]N[5]C)(S[5]C[5])(CCO)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C){2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(S[5]C[5])(CCO){2|C<3>}	112.2630	0.000	1	112.2630	0.000	1	112.5823	0.078	3	112.4133	0.167	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:3:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:C-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N)	C[5](C[5]N[5]C)(S[5]C[5])(CCO)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|N<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N){2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(S[5]C[5])(CCO){1|C<3>,1|N<2>}	112.7420	0.062	2	112.7420	0.004	2	112.5823	0.078	3	112.4133	0.167	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]H)	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|H<1>}	111.9810	0.000	1	111.9810	0.000	1	111.8748	0.114	4	111.8748	0.114	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]S)	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|S<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]S){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|S<1>}	112.1700	0.000	1	112.1700	0.000	1	111.8748	0.114	4	111.8748	0.114	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]S[5]Rh)(C[5]C[5]C)	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|Rh<8>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]S[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Rh<8>,1|C<3>}	111.9590	0.000	1	111.6740	0.162	2	111.8748	0.114	4	111.8748	0.114	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:2:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]S[5]Rh)(C[5]C[5]C)	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(C[5]S[5]C)(CH3){1|Rh<9>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]S[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|Rh<9>,1|C<3>}	111.3890	0.000	1	111.6740	0.162	2	111.8748	0.114	4	111.8748	0.114	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<3>,1|W<7>}	107.6783	0.469	6	107.6783	0.220	6	107.6783	0.220	6	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<5>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<5>,1|B<3>,2|C<3>}	107.6607	0.205	3	107.6607	0.042	3	107.9964	0.163	9	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<6>,1|C<4>}	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|B<3>}	108.1643	0.377	6	108.1643	0.142	6	107.9964	0.163	9	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	105.6970	0.000	2	105.6970	0.000	2	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6a]O){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	105.9955	0.057	2	105.9955	0.003	2	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCH)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|N<3>,2|C<3>}	106.4760	0.000	1	106.4760	0.000	1	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCHH)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CNS)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCHH){1|Ru<9>,1|C<4>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CNS){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|C<3>}	105.7800	0.000	1	105.7800	0.000	1	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Al<4>,1|C<4>}	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Al<4>,1|C<3>}	107.2970	0.000	1	107.2970	0.000	1	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Al<4>,1|C<4>}	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Al<4>,1|C<3>}	106.6950	0.091	2	106.6950	0.008	2	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ca)(C[5]C[5]C)(CN[5]2)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ca<6>,1|C<4>}	N[5](N[5]C[5]Ca)(C[5]C[5]C)(CN[5]2){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ca<6>,1|C<3>}	107.3070	0.160	3	107.3070	0.026	3	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CNS)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CNS){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<3>}	106.1550	0.000	1	106.1550	0.000	1	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CNN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(CNN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<3>}	106.3820	0.000	1	106.3820	0.000	1	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CSS)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CSS){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<3>}	105.9490	0.365	2	105.9490	0.133	2	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CNO)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CNO){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<3>}	106.2967	1.088	3	106.2967	1.183	3	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CCH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<3>,1|C<4>}	N[5](N[5]C[5]Li)(C[5]C[5]C)(CCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Li<3>,1|C<3>}	106.4310	0.000	1	106.4310	0.000	1	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]2)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]2){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mg<6>,1|C<3>}	107.1735	0.367	2	107.1735	0.135	2	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CNN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CNN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<3>}	105.4500	0.000	1	105.4500	0.000	1	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CNN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CNN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	106.1740	0.000	1	106.1740	0.000	1	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CNS)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CNS){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	105.8660	0.253	2	105.8660	0.064	2	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]O)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]O){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	106.3480	0.000	1	106.3480	0.000	1	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6a]O){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	106.4800	0.000	1	106.4800	0.000	1	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CNS)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CNS){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	106.3260	0.000	1	106.3260	0.000	1	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CCN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<4>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CCN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<3>}	106.0210	0.000	1	106.0210	0.000	1	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]2)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<6>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]2){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<6>,1|C<3>}	107.2920	0.134	3	107.2920	0.018	3	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]P)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]P){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<3>}	106.7969	0.480	8	106.7969	0.230	8	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CSS)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CSS){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<3>}	106.4240	0.523	6	106.4240	0.274	6	106.5038	0.379	47	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:P-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(PN[5]2)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(PN[5]2){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|P<3>}	106.2103	0.110	3	106.2103	0.012	3	106.5105	0.271	6	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:P-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(PC[6a]N)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]P)(CH3){1|Pd<5>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(PC[6a]N){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<5>,1|P<3>}	106.8107	0.628	3	106.8107	0.394	3	106.5105	0.271	6	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC3){1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|C<4>,3|C<3>}	102.1570	0.000	1	102.1570	0.000	1	103.1564	0.413	14	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BCCO)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BCCO){1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|C<4>,3|C<3>}	103.7570	0.000	1	103.7570	0.000	1	103.1564	0.413	14	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|H<1>,3|C<3>}	103.7660	0.000	1	103.7660	0.000	1	103.1564	0.413	14	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|P<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|P<3>,3|C<3>}	103.6270	0.000	1	103.6270	0.000	1	103.1564	0.413	14	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|S<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|S<2>,3|C<3>}	103.1470	0.597	3	103.1470	0.357	3	103.1564	0.413	14	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]V)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|V<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]V){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|V<4>,3|C<3>}	103.6620	0.000	1	103.6620	0.000	1	103.1564	0.413	14	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|As<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|As<3>,3|C<3>}	103.8320	0.000	1	103.8320	0.000	1	103.1564	0.413	14	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B)	C[5](N[5]C[5]C[6])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<7>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B){1|H<1>,2|C<3>,3|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]B)(H){2|Ir<7>,1|C<3>,2|C<4>}	102.5610	0.000	1	102.5610	0.000	1	103.1564	0.413	14	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<7>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Ir<7>,3|C<3>}	102.5420	0.000	1	102.6415	0.020	2	103.1564	0.413	14	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Ir<9>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Ir<9>,3|C<3>}	102.7410	0.000	1	102.6415	0.020	2	103.1564	0.413	14	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Li<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Li<4>,3|C<3>}	102.3230	0.000	1	102.3230	0.000	1	103.1564	0.413	14	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(BC[6a]3){1|Se<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Se<1>,3|C<3>}	103.7800	0.000	1	103.7800	0.000	1	103.1564	0.413	14	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]C[5]C)(C[6]N[6]2)(N[5]C[5]V)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|V<7>}	N[5](C[5]C[5]C)(C[6]N[6]2)(N[5]C[5]V){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]C)2(H){1|C<3>,1|V<7>}	105.7255	0.033	2	105.7255	0.001	2	105.7255	0.001	2	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]N[5]S[5])(N[5]C[5]Ni)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ni<6>,1|C<4>,1|N<3>,1|S<2>}	N[5](C[5]N[5]S[5])(N[5]C[5]Ni)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	106.0320	0.000	1	106.0320	0.000	1	104.8730	2.687	2	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3)	N[5](C[5]N[5]S[5])(N[5]C[5]Ru)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[5]N[5])(C[5]C[5]H)(CH3){1|Ru<6>,1|C<4>,1|N<3>,1|S<2>}	N[5](C[5]N[5]S[5])(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<3>}	103.7140	0.000	1	103.7140	0.000	1	104.8730	2.687	2	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CCCH)	N[5](C[6]C[6]N[6])(N[5]C[5]Co)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CCCH){1|Co<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<3>}	104.2820	0.000	1	104.2820	0.000	1	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Al)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Al<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Al)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Al<5>,1|C<3>}	105.5600	0.000	1	105.5600	0.000	1	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Cd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cd<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Cd)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<3>}	106.2170	0.346	3	106.1019	0.274	7	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Cd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cd<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Cd)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Cd<6>,1|C<3>}	106.0155	0.667	4	106.1019	0.274	7	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Co)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Co<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<3>}	105.8998	0.126	5	105.8998	0.016	5	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Cr)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cr<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Cr)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|C<3>}	106.1750	0.170	2	106.1750	0.029	2	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<4>,1|C<3>,1|C<4>,1|N<4>}	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]C){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<3>}	105.9890	0.173	2	105.9747	0.048	6	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<6>,1|C<3>}	105.9675	0.265	4	105.9747	0.048	6	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<3>}	106.0745	0.135	2	106.0745	0.018	2	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Mn)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Mn)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<3>}	105.9465	0.436	2	105.9465	0.190	2	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Ni)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Ni)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	105.8538	0.567	12	105.8538	0.321	12	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Ru)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<5>,1|C<3>}	106.9710	0.000	1	106.2229	0.400	9	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Ru)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<3>}	106.1580	0.649	7	106.2229	0.400	9	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Ru)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ru<7>,1|C<3>,1|C<4>,1|N<4>}	N[5](C[6]C[6]N[6])(N[5]C[5]Ru)(C[5]C[5]C){1|B<5>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<7>,1|C<3>}	105.9290	0.000	1	106.2229	0.400	9	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Sm)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Sm<14>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Sm)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Sm<14>,1|C<3>}	105.9220	0.000	1	105.9220	0.000	1	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Zn)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Zn)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<3>}	105.8713	0.371	3	105.8818	0.114	5	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Zn)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Zn)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|C<3>}	105.5970	0.000	1	105.8818	0.114	5	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](C[6]C[6]N[6])(N[5]C[5]Zn)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(N[5]C[5]Zn)(C[5]C[5]C){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|C<3>}	106.1980	0.000	1	105.8818	0.114	5	105.9599	0.258	53	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]C)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]C){2|C<3>,2|F<1>,2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){1|Mn<6>,1|C<3>}	105.1920	0.000	1	105.1920	0.000	1	105.1920	0.000	1	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	C[5](N[5]C[5]Mn)(C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){1|Mn<6>,2|C<3>,3|H<1>}	C[5](N[5]C[5]Mn)(C[5]N[5]C)(H){1|C<3>,1|H<1>}	105.0870	0.000	1	105.0870	0.000	1	105.6455	0.624	2	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(H){1|H<1>,3|C<3>}	106.2040	0.000	1	106.2040	0.000	1	105.6455	0.624	2	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	N[5](C[6a]N[6a]2)(C[5]C[5]C)(N[5]C[5]V)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|V<5>}	N[5](C[6a]N[6a]2)(C[5]C[5]C)(N[5]C[5]V){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]C)2(H){1|C<3>,1|V<5>}	105.5160	0.341	2	105.5160	0.116	2	105.5160	0.116	2	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:Br-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]Br)(CH3)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(Br)	C[5](N[5]C[6a]N[5])(C[5]C[5]Br)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(Br){1|Pd<4>,1|C<3>}	106.1320	0.000	1	106.1320	0.000	1	106.1320	0.000	1	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Ir<6>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<3>}	106.6694	0.422	11	106.6694	0.178	11	106.6655	0.361	27	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Pd<4>,1|C<3>}	106.9812	0.781	6	106.9812	0.611	6	106.6655	0.361	27	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	106.4450	0.000	1	106.4025	0.004	2	106.6655	0.361	27	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	106.3600	0.000	1	106.4025	0.004	2	106.6655	0.361	27	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Zn<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<3>}	105.8960	1.031	2	105.8960	1.063	2	106.6655	0.361	27	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3)	N[5](C[6a]C[6a]N[6a])(N[5]C[5]Mn)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|Mn<6>,1|N<2>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(N[5]C[5]Mn)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<3>}	106.6870	0.558	6	106.6870	0.311	6	106.6655	0.361	27	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](N[5]C[6a]N[5])(C[5]C[5]I)(CH3)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(I)	C[5](N[5]C[6a]N[5])(C[5]C[5]I)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(I){1|Pd<4>,1|C<3>}	105.7670	0.000	1	105.7670	0.000	1	105.7670	0.000	1	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:P[5]-3:C[5]-3:	C[5]-3:P[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]P[5]H)(CC3)	N[5](C[6a]C[6a]2)(P[5]P[5]Cl)(C[5]C[5]C)	C[5](C[5]N[5]C)(P[5]P[5]C)(H)	C[5](N[5]C[6a]P[5])(C[5]P[5]H)(CC3){1|Cl<1>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(P[5]P[5]Cl)(C[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5]C)(P[5]P[5]C)(H){1|Cl<1>,1|C<3>}	115.8970	0.000	1	115.8970	0.000	1	115.8970	0.000	1	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	Ga-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3)	N[5](GaC[6a]C[6])(N[5]C[5]Ga)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3){1|Ga<4>,1|C<4>}	N[5](GaC[6a]C[6])(N[5]C[5]Ga)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ga<3>,1|Ga<4>}	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	Ge[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CH3)	N[5](Ge[5]Ge[6]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CH3){1|Ge<3>,1|C<4>,2|C<3>}	N[5](Ge[5]Ge[6]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H){1|Ge<3>,1|C<3>}	114.7170	0.000	1	114.7170	0.000	1	114.7170	0.000	1	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(C[6]N[6]2)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Co<5>,1|C<4>,1|N<2>,1|N<3>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(C[6]N[6]2){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<3>}	105.4040	0.815	3	105.4642	0.369	5	105.4662	0.245	20	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(C[6]N[6]2)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Co<6>,1|C<4>,1|N<2>,1|N<3>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(C[6]N[6]2){1|C<4>,1|H<1>,2|N<2>}	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<3>}	105.5545	0.349	2	105.4642	0.369	5	105.4662	0.245	20	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(C[6]N[6]2)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<5>,1|C<4>,1|N<2>,1|N<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(C[6]N[6]2){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<3>}	105.6375	0.357	2	105.5543	0.090	6	105.4662	0.245	20	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(C[6]N[6]2)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Cu<6>,1|C<4>,1|N<2>,1|N<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(C[6]N[6]2){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]C)2(H){1|Cu<6>,1|C<3>}	105.5127	0.317	4	105.5543	0.090	6	105.4662	0.245	20	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(C[6]N[6]2)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Fe<6>,1|C<4>,1|N<2>,1|N<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(C[6]N[6]2){1|C<4>,1|H<1>,2|N<2>}	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<3>}	105.1170	0.359	3	105.1170	0.129	3	105.4662	0.245	20	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(C[6]N[6]2)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Ni<6>,1|C<4>,1|N<2>,1|N<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(C[6]N[6]2){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<3>}	105.1895	0.369	4	105.1895	0.136	4	105.4662	0.245	20	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(C[6]N[6]2)	C[5](C[5]N[5]C)2(H)	C[5](N[5]C[6]N[5])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,1|N<2>,1|N<3>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<3>}	106.2845	0.025	2	106.2845	0.001	2	105.4662	0.245	20	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	P[5,5]-3:C[6a]-3:C[5]-3:	P[5,5]-3:C[5]-3:H-1:	C[5](N[5]P[5,5]C[6a])(C[5]P[5,5]H)(CC3)	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](P[5,5]P[5,5]C[5])(C[5]N[5]C)(H)	C[5](N[5]P[5,5]C[6a])(C[5]P[5,5]H)(CC3){1|N<3>,3|C<3>}	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<4>,5|C<3>}	C[5](P[5,5]P[5,5]C[5])(C[5]N[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	115.6610	0.000	1	115.6610	0.000	1	115.6610	0.000	1	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaC3)	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]Ga)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaC3){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Ga)(H){1|H<1>,3|C<3>}	102.8450	0.000	1	102.8450	0.000	1	103.1207	1.135	3	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCCP)	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]Ga)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCCP){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Ga)(H){1|H<1>,3|C<3>}	102.2200	0.000	1	102.2200	0.000	1	103.1207	1.135	3	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Ga-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCl3)	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]Ga)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(GaCl3){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Ga)(H){1|H<1>,3|C<3>}	104.2970	0.000	1	104.2970	0.000	1	103.1207	1.135	3	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:N-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC3)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC3){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H){1|H<1>,3|C<3>}	107.9090	0.000	1	107.9090	0.000	1	107.6220	0.101	3	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:N-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC3)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC3){1|Pd<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]N){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H){1|Pd<4>,3|C<3>}	107.4785	0.279	2	107.4785	0.078	2	107.6220	0.101	3	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C)	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C){1|Cl<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P){1|Cl<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl){1|Cl<1>,3|C<3>}	105.5590	0.000	1	105.5590	0.000	1	105.4293	0.030	3	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2C){1|Rh<6>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]P){1|Cl<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl){1|Rh<6>,3|C<3>}	105.2320	0.000	1	105.2320	0.000	1	105.4293	0.030	3	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2F)	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2F){1|Cl<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P){1|Cl<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(Cl){1|Cl<1>,3|C<3>}	105.4970	0.000	1	105.4970	0.000	1	105.4293	0.030	3	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2O)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2O){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){1|S<1>,3|C<3>}	105.0950	0.000	1	105.0950	0.000	1	105.8100	0.405	3	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2S){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(H){1|S<1>,3|C<3>}	106.1675	0.207	2	106.1675	0.043	2	105.8100	0.405	3	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Si-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiC3)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]Cu)	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiC3){1|Cu<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]Cu){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){1|Cu<2>,3|C<3>}	103.6540	0.000	1	103.6540	0.000	1	103.6540	0.000	1	106.1755	2.714	210	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(CC[6a]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(CC[6a]HH){5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){2|H<1>,4|C<3>}	110.6510	0.000	1	110.6510	0.000	1	110.6510	0.000	1	107.9600	14.483	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5]-3:N[5]-3:P-4:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2Au)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]W)	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2Au){1|W<6>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]W){1|H<1>,1|P<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]){1|W<6>,2|H<1>,3|C<3>}	105.2690	0.000	1	105.2690	0.000	1	105.2690	0.000	1	107.9600	14.483	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:B[5]-4:	C[5]-3:C[5]-3:C[6a]-3:	N[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H)	N[5](C[5]C[6a]N[5])(C[5]B[5]C[5])(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[5]B[5]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H){2|C<4>,6|C<3>}	N[5](C[5]C[6a]N[5])(C[5]B[5]C[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<2>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[5]B[5]N[5])(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	104.5450	0.000	1	104.5450	0.000	1	104.5450	0.000	1	109.8140	56.516	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(CH3){1|H<1>,1|S<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]H){1|S<1>,2|H<1>,3|C<3>}	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	109.8140	56.516	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:C-4:	P[5]-3:C[6a]-3:C[5]-3:	P[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]P[5])(C[5]P[5]C)(CH3)	N[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](P[5]C[6a]P[5])(C[5]N[5]C)(CCN)	C[5](N[5]C[6a]P[5])(C[5]P[5]C)(CH3){4|C<3>}	N[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,6|C<3>}	C[5](P[5]C[6a]P[5])(C[5]N[5]C)(CCN){4|C<3>}	118.4230	0.000	1	118.4230	0.000	1	118.4230	0.000	1	109.8140	56.516	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ca)(C[5]C[5]C)(CN[5]2)	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Ca<6>,1|C<4>}	N[5](N[5]C[5]Ca)(C[5]C[5]C)(CN[5]2){2|C<4>}	C[5](C[5]N[5]C)2(CH3){1|Ca<6>,1|C<3>}	108.0100	0.183	6	108.0100	0.034	6	108.0200	0.046	10	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]2)	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]2){2|C<4>}	C[5](C[5]N[5]C)2(CH3){1|Mg<6>,1|C<3>}	107.6280	0.000	1	107.6280	0.000	1	108.0200	0.046	10	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Sr)(C[5]C[5]C)(CN[5]2)	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Sr<6>,1|C<4>}	N[5](N[5]C[5]Sr)(C[5]C[5]C)(CN[5]2){2|C<4>}	C[5](C[5]N[5]C)2(CH3){1|Sr<6>,1|C<3>}	108.1707	0.103	3	108.1707	0.011	3	108.0200	0.046	10	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C-4:	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)(CH3)	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]C)(CH3)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|C<3>,6|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]C)(CH3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	106.6430	0.000	1	106.6430	0.000	1	106.6430	0.000	1	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ir<6>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|Ir<6>,1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3){2|C<3>}	106.3345	0.012	2	106.3345	0.000	2	106.3345	0.000	2	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){2|C<3>,4|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|H<1>}	106.5820	0.000	1	106.5820	0.000	1	106.1864	0.289	7	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<3>}	105.9030	0.160	2	106.1205	0.310	6	106.1864	0.289	7	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Pd<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<3>}	106.3273	0.796	3	106.1205	0.310	6	106.1864	0.289	7	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Pd<5>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C){2|C<3>,4|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<3>}	105.9350	0.000	1	106.1205	0.310	6	106.1864	0.289	7	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH){1|Ir<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]C){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CCHH){1|Ir<4>,3|C<3>}	106.3305	0.136	2	106.3305	0.019	2	106.8297	0.193	26	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){1|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){4|C<3>}	107.2485	0.063	2	107.1365	0.157	12	106.8297	0.193	26	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){4|C<3>}	107.1141	0.434	10	107.1365	0.157	12	106.8297	0.193	26	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|H<1>,3|C<3>}	106.3185	0.054	2	106.3185	0.003	2	106.8297	0.193	26	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|S<1>,3|C<3>}	106.8545	0.105	2	106.8545	0.011	2	106.8297	0.193	26	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ni<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]C){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ni<2>,3|C<3>}	106.5095	0.204	2	106.4665	0.073	4	106.8297	0.193	26	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ni<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]C){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Ni<4>,3|C<3>}	106.4235	0.414	2	106.4665	0.073	4	106.8297	0.193	26	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Se<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Se<1>,3|C<3>}	106.6245	0.204	2	106.7655	0.048	4	106.8297	0.193	26	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Se<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C){3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Se<2>,3|C<3>}	106.9065	0.149	2	106.7655	0.048	4	106.8297	0.193	26	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:S-4:	C[5](N[5]C[6a]N[5])(C[5]C[5]S)(CH3)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(SNOO)	C[5](N[5]C[6a]N[5])(C[5]C[5]S)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)2(SNOO){1|Pd<4>,1|C<3>}	105.5970	0.000	1	105.5970	0.000	1	105.5970	0.000	1	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	Ga[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	N[5](Ga[5]Ga[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|Ga<3>,3|C<3>}	N[5](Ga[5]Ga[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|Ga<3>,3|C<3>}	116.4020	0.556	3	116.4020	0.309	3	116.4020	0.309	3	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:P-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2O)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2S)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2O){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2S){1|S<1>,3|C<3>}	106.2100	0.000	1	106.2100	0.000	1	106.4925	0.160	2	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:P-4:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:P-4:	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2S)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2O)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2S){1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2O){1|S<1>,3|C<3>}	106.7750	0.000	1	106.7750	0.000	1	106.4925	0.160	2	107.4650	5.510	52	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[6a]-3:B[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(CC3)	N[5](C[6a]C[6a]2)(B[5]C[5]N)(C[5]C[5]C)	C[5](C[5]B[5]C[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[6a]B[5])(C[5]C[5]H)(CC3){1|C<4>,1|N<2>,3|C<3>}	N[5](C[6a]C[6a]2)(B[5]C[5]N)(C[5]C[5]C){1|H<1>,3|C<3>,3|C<4>}	C[5](C[5]B[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|N<2>,2|N<3>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH){2|N<3>,3|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO){1|N<2>,5|C<3>}	111.2000	0.000	1	111.3375	0.038	2	111.3375	0.038	2	114.7277	34.499	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CCHH){2|N<3>,3|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO){2|C<4>,4|C<3>}	111.4750	0.000	1	111.3375	0.038	2	111.3375	0.038	2	114.7277	34.499	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:C-4:	C[6a]-3:Ge[5]-3:C[5]-3:	P[5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]Ge[5])(C[5]P[5]C)(CH3)	N[5](C[6a]C[6a]2)(Ge[5]P[5]Cl)(C[5]C[5]C)	C[5](P[5]C[6a]2Ge[5])(C[5]N[5]C)(CCN)	C[5](N[5]C[6a]Ge[5])(C[5]P[5]C)(CH3){1|Cl<1>,4|C<3>}	N[5](C[6a]C[6a]2)(Ge[5]P[5]Cl)(C[5]C[5]C){2|C<4>,5|C<3>}	C[5](P[5]C[6a]2Ge[5])(C[5]N[5]C)(CCN){1|Cl<1>,5|C<3>}	121.5080	0.000	1	121.5080	0.000	1	121.5080	0.000	1	114.7277	34.499	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	4:3:4:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CHHP)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CHHP){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3){1|C<3>,1|O<1>}	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:B-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]S)(BN[5]HH)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]B)(CH3){1|S<2>}	N[5](C[5]C[5]C)(C[5]S[5]S)(BN[5]HH){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|B<4>,1|S<2>}	113.1343	0.561	6	113.1343	0.315	6	113.1343	0.315	6	112.7073	0.581	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH){1|H<1>}	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<4>,1|H<1>}	110.8840	0.000	1	110.8840	0.000	1	112.4511	0.600	10	112.7073	0.581	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CCHH){1|N<2>}	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<4>,1|N<2>}	112.2730	0.000	1	112.2730	0.000	1	112.4511	0.600	10	112.7073	0.581	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|C<3>}	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<3>,1|C<4>}	111.9220	0.000	1	111.9220	0.000	1	112.4511	0.600	10	112.7073	0.581	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(CCHH)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<3>}	N[5](C[5]C[5]C)(C[5]S[5]N)(CCHH){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<4>,1|N<3>}	112.3680	0.000	1	112.3680	0.000	1	112.4511	0.600	10	112.7073	0.581	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<2>}	N[5](C[5]C[5]C)(C[5]S[5]N)(CC[6a]HH){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<4>,1|N<2>}	112.2610	0.000	1	112.2610	0.000	1	112.4511	0.600	10	112.7073	0.581	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<1>}	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<4>,1|N<1>}	113.1975	0.235	4	112.9606	0.322	5	112.4511	0.600	10	112.7073	0.581	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]H)(N[5]C[5]C)(CH3){1|N<3>}	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3){1|H<1>}	C[5](C[5]N[5]C)(S[5]C[5])(H){1|C<4>,1|N<3>}	112.0130	0.000	1	112.9606	0.322	5	112.4511	0.600	10	112.7073	0.581	16	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-3:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(COO)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|N<2>}	N[5](C[5]C[5]C)(C[5]S[5]N)(CH3){1|C<3>}	C[5](C[5]N[5]C)(S[5]C[5])(COO){1|C<4>,1|N<2>}	112.6470	0.000	1	112.6470	0.000	1	112.6470	0.000	1	112.6470	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]C)(CCHH)	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|C<3>}	N[5](C[5]C[5]C)(C[5]S[5]C)(CCHH){1|C<4>}	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|C<4>}	112.7465	0.356	2	112.7465	0.127	2	111.7674	0.603	22	111.7674	0.603	22	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]C)(CC[6]HH)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|C<4>}	N[5](C[5]C[5]C)(C[5]S[5]C)(CC[6]HH){1|C<4>}	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){2|C<4>}	111.2570	0.000	1	111.2570	0.000	1	111.7674	0.603	22	111.7674	0.603	22	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]H)(CCHH)	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	N[5](C[5]C[5]C)(C[5]S[5]H)(CCHH){1|C<4>}	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|H<1>}	111.7570	0.000	1	111.7570	0.000	1	111.7674	0.603	22	111.7674	0.603	22	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6]HH)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6]HH){1|C<4>}	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|C<4>,1|H<1>}	111.6268	0.303	9	111.6268	0.092	9	111.7674	0.603	22	111.7674	0.603	22	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6a]HH)	C[5](C[5]N[5]C)(S[5]C[5])(CCHH)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	N[5](C[5]C[5]C)(C[5]S[5]H)(CC[6a]HH){1|C<4>}	C[5](C[5]N[5]C)(S[5]C[5])(CCHH){1|C<4>,1|H<1>}	111.4036	1.367	5	111.4036	1.868	5	111.7674	0.603	22	111.7674	0.603	22	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|H<1>}	N[5](C[5]C[5]C)(C[5]S[5]H)(CH3){1|C<4>}	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|H<1>}	111.7630	0.000	1	111.7630	0.000	1	111.7674	0.603	22	111.7674	0.603	22	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH)	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|P<2>}	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH){1|C<4>}	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|P<2>}	112.7760	0.000	1	112.3180	0.197	3	111.7674	0.603	22	111.7674	0.603	22	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH)	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|P<4>}	N[5](C[5]C[5]C)(C[5]S[5]P)(CCHH){1|C<4>}	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<4>,1|P<4>}	112.0890	0.281	2	112.3180	0.197	3	111.7674	0.603	22	111.7674	0.603	22	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3)	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]B)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(BC[6a]3){1|C<4>,1|H<1>}	N[5](C[5]C[5]B)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]B)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	103.2035	0.822	2	103.2035	0.676	2	103.2035	0.676	2	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3){2|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.4315	0.200	2	108.4315	0.040	2	108.2527	0.116	3	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]C)(CH3){2|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.8950	0.000	1	107.8950	0.000	1	108.2527	0.116	3	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(CC3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CPdHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CC3){1|C<4>,1|P<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CPdHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<4>,1|P<4>}	105.2450	0.000	1	105.2450	0.000	1	105.8975	0.239	10	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(CCCH)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]B)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCCH){1|Fe<6>,1|B<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){1|B<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]B)(H){1|Fe<6>,1|C<4>}	105.4820	0.279	3	105.4820	0.078	3	105.8975	0.239	10	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H){2|C<4>}	106.3042	0.317	4	106.3042	0.100	4	105.8975	0.239	10	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	105.8780	0.000	1	105.8780	0.000	1	105.8975	0.239	10	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCHH){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]C)(H){1|Ir<8>,1|C<4>}	106.1890	0.000	1	106.1890	0.000	1	105.8975	0.239	10	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H)	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]C)2(Cl){1|B<4>,1|W<7>}	106.1040	0.000	1	106.1040	0.000	1	106.1040	0.000	1	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	108.1850	0.000	1	108.1850	0.000	1	107.7456	0.517	506	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(BC[6a]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	108.2690	0.000	1	108.2690	0.000	1	107.7456	0.517	506	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3)	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5a]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CC3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	108.0420	0.000	1	108.0420	0.000	1	107.7456	0.517	506	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){2|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|C<4>}	109.1320	0.000	1	109.1320	0.000	1	107.7456	0.517	506	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	108.2284	0.504	5	108.2284	0.254	5	107.7456	0.517	506	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]U)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|U<8>}	N[5](C[5]C[5]C)(N[5]C[5]U)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|U<8>}	106.9203	1.643	3	106.9203	2.698	3	107.7456	0.517	506	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<1>,1|W<7>}	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H){1|C<1>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<7>}	107.4310	0.000	1	107.7424	0.506	491	107.7456	0.517	506	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<6>}	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<6>}	107.7351	0.744	394	107.7424	0.506	491	107.7456	0.517	506	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<7>}	107.7783	0.556	93	107.7424	0.506	491	107.7456	0.517	506	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<8>}	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<8>}	107.6917	0.854	3	107.7424	0.506	491	107.7456	0.517	506	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]Y)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Y<12>,1|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]Y)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Y<12>,1|B<4>}	107.4087	0.537	3	107.4087	0.288	3	107.7456	0.517	506	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]B)(CCCW)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|B<4>,1|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]B)(CCCW){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|C<4>}	107.1580	0.000	1	107.1580	0.000	1	106.3874	0.794	15	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){2|C<4>}	107.1565	0.073	2	107.1565	0.005	2	106.3874	0.794	15	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]V)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|V<6>}	N[5](C[5]C[5]C)(N[5]C[5]V)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|C<4>,1|V<6>}	106.2305	0.455	2	106.2305	0.207	2	106.3874	0.794	15	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(CC[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|W<7>}	N[5](C[5]C[5]C)(N[5]C[5]W)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|C<4>,1|W<7>}	106.2150	0.185	2	106.2150	0.034	2	106.3874	0.794	15	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|W<6>}	N[5](C[5]C[5]C)(N[5]C[5]W)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|C<4>,1|W<6>}	105.4480	0.588	2	105.4480	0.346	2	106.3874	0.794	15	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(CN[5]SnH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|W<6>}	N[5](C[5]C[5]C)(N[5]C[5]W)(CN[5]SnH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|C<4>,1|W<6>}	105.9505	2.316	2	105.9505	5.363	2	106.3874	0.794	15	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Y<12>,1|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]Y)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Y<12>,1|C<4>}	106.6630	0.523	4	106.6630	0.273	4	106.3874	0.794	15	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)(C[5]N[5]H)(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(CCCH){1|Cr<5>,1|H<1>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]2H){1|Br<1>,1|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(Br){1|Cr<5>,1|B<4>}	106.5410	0.000	1	106.5410	0.000	1	107.7420	0.830	4	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]B)(CF3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]B)(CF3){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(BN[5]2H){1|Br<1>,1|C<4>}	C[5](C[5]N[5]C)2(Br){1|Cu<4>,1|B<4>}	108.1423	0.532	3	108.1423	0.283	3	107.7420	0.830	4	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]C)2(Cl){1|Ni<6>,1|B<4>}	106.3318	0.248	6	106.3318	0.062	6	106.3318	0.062	6	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Co<3>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<3>,1|B<4>}	107.7200	0.115	2	107.5571	0.178	14	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Co<4>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	107.5300	0.452	12	107.5571	0.178	14	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<5>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|B<4>}	107.3288	0.330	9	107.4099	0.150	28	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<6>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|B<4>}	107.4483	0.415	19	107.4099	0.150	28	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<4>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<4>,1|B<4>}	107.9650	0.330	2	108.0962	0.081	4	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<5>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|B<4>}	108.2275	0.254	2	108.0962	0.081	4	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ni<3>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<3>,1|B<4>}	107.2800	0.576	2	108.1508	1.298	5	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ni<5>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	108.5280	0.000	1	108.1508	1.298	5	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ni<5>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	108.8330	1.508	2	108.1508	1.298	5	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Ru<6>,1|C<4>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|B<4>}	107.3063	0.197	3	107.3063	0.039	3	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Sm)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Sm<8>,1|C<4>}	N[5](N[5]C[5]Sm)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Sm<8>,1|B<4>}	107.6233	0.067	3	107.6233	0.004	3	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|B<4>}	107.6872	0.173	6	107.6872	0.030	6	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCHH)	N[5](N[5]C[5]Sr)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCHH){1|Sr<6>,1|C<4>}	N[5](N[5]C[5]Sr)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Sr<6>,1|B<4>}	107.4750	0.186	6	107.4750	0.035	6	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CF3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CF3){1|Zn<5>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|B<4>}	109.7830	0.183	3	109.7830	0.033	3	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<5>,1|C<3>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,1|B<4>,2|C<3>}	107.6655	0.504	23	107.6655	0.254	23	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<4>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	107.8183	0.312	3	107.6839	0.145	16	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<5>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<5>,1|B<4>}	107.6513	0.113	6	107.6839	0.145	16	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<6>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<6>,1|B<4>}	107.6541	0.555	7	107.6839	0.145	16	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Co<4>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<4>,1|B<4>}	108.2747	0.285	4	108.2747	0.081	4	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cr<4>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<4>,1|B<4>}	107.7837	0.232	6	107.6719	0.082	18	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cr<5>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|B<4>}	107.5921	0.344	9	107.6719	0.082	18	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cr<6>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|B<4>}	107.6880	0.152	3	107.6719	0.082	18	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cu<4>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|B<4>}	107.4712	0.356	5	107.5395	0.081	17	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|B<4>}	107.5679	0.262	12	107.5395	0.081	17	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Eu)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Eu<6>,1|C<4>}	N[5](N[5]C[5]Eu)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Eu<6>,1|B<4>}	107.8090	0.000	1	107.8090	0.000	1	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<3>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<3>,1|B<4>,2|C<3>}	107.7640	0.000	1	107.6995	0.029	16	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<4>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<4>,1|B<4>,2|C<3>}	107.7710	0.097	3	107.6995	0.029	16	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<5>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<5>,1|B<4>,2|C<3>}	107.7123	0.171	9	107.6995	0.029	16	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<6>,1|B<4>,2|C<3>}	107.5680	0.236	3	107.6995	0.029	16	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<5>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<5>,1|B<4>}	107.8810	0.177	3	107.4500	0.290	66	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|B<4>}	107.4295	0.542	63	107.4500	0.290	66	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|B<4>}	108.2335	0.040	2	108.2335	0.002	2	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<6>,1|C<4>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|B<4>}	107.6636	0.530	150	107.6325	0.330	162	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<7>,1|C<4>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<7>,1|B<4>}	107.1758	1.067	9	107.6325	0.330	162	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<8>,1|C<4>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<8>,1|B<4>}	107.4480	0.210	3	107.6325	0.330	162	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Li)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Li<4>,1|C<4>}	N[5](N[5]C[5]Li)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Li<4>,1|B<4>}	107.0513	0.404	3	107.0513	0.163	3	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mg<4>,1|C<4>}	N[5](N[5]C[5]Mg)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|B<4>}	107.6255	0.239	14	107.6255	0.057	14	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<3>,1|C<3>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<3>,1|B<4>,2|C<3>}	107.6180	0.000	1	107.6850	0.118	11	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<4>,1|C<3>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<4>,1|B<4>,2|C<3>}	107.6349	0.213	7	107.6850	0.118	11	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<5>,1|C<3>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<5>,1|B<4>,2|C<3>}	107.8243	0.643	3	107.6850	0.118	11	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mn<6>,1|C<4>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|B<4>}	107.5061	0.345	9	107.5061	0.119	9	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<6>,1|C<4>}	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|B<4>}	107.7547	0.749	143	107.7462	0.500	166	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<7>,1|C<4>}	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|B<4>}	107.7006	0.381	20	107.7462	0.500	166	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<8>,1|C<4>}	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mo<8>,1|B<4>}	107.6450	0.260	3	107.7462	0.500	166	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<3>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<3>,1|B<4>,2|C<3>}	107.8150	0.000	1	107.7062	0.097	53	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<4>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<4>,1|B<4>,2|C<3>}	107.7577	0.373	19	107.7062	0.097	53	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<5>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<5>,1|B<4>,2|C<3>}	107.6833	0.285	30	107.7062	0.097	53	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<6>,1|B<4>,2|C<3>}	107.5733	0.096	3	107.7062	0.097	53	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<4>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|B<4>}	107.6900	0.241	6	107.6814	0.336	49	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<5>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	107.7813	0.335	14	107.6814	0.336	49	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<3>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|B<4>}	107.2967	0.343	6	107.6814	0.336	49	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|B<4>}	107.6952	0.853	18	107.6814	0.336	49	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<7>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<7>,1|B<4>}	107.8036	0.276	5	107.6814	0.336	49	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<5>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|B<4>}	107.2570	0.000	1	107.2570	0.000	1	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pd<6>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<6>,1|B<4>}	107.5027	0.269	6	107.5027	0.072	6	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Pt)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<4>,1|C<4>}	N[5](N[5]C[5]Pt)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pt<4>,1|B<4>}	107.8057	0.554	10	107.7303	0.261	18	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Pt)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<5>,1|C<4>}	N[5](N[5]C[5]Pt)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pt<5>,1|B<4>}	107.3970	0.144	2	107.7303	0.261	18	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Pt)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<6>,1|C<4>}	N[5](N[5]C[5]Pt)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pt<6>,1|B<4>}	107.7157	0.522	6	107.7303	0.261	18	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Pt)(C[5]C[5]C)(BN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<4>,1|C<4>}	N[5](N[5]C[5]Pt)(C[5]C[5]C)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pt<4>,1|B<4>}	108.8815	0.542	2	108.8815	0.294	2	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Re)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Re<6>,1|C<4>}	N[5](N[5]C[5]Re)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Re<6>,1|B<4>}	108.8303	0.423	3	108.8303	0.179	3	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<4>}	N[5](N[5]C[5]Rh)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|B<4>}	107.6020	0.148	2	107.4677	0.476	141	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<5>,1|C<4>}	N[5](N[5]C[5]Rh)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<5>,1|B<4>}	107.5645	0.678	6	107.4677	0.476	141	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<6>,1|C<4>}	N[5](N[5]C[5]Rh)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|B<4>}	107.4613	0.697	133	107.4677	0.476	141	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(BN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<4>}	N[5](N[5]C[5]Rh)(C[5]C[5]C)(BN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|B<4>}	107.6175	0.103	2	107.6175	0.011	2	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Sm)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Sm<6>,1|C<4>}	N[5](N[5]C[5]Sm)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Sm<6>,1|B<4>}	107.9920	0.000	1	108.8359	0.810	7	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Sm)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Sm<7>,1|C<4>}	N[5](N[5]C[5]Sm)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Sm<7>,1|B<4>}	108.9765	0.898	6	108.8359	0.810	7	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ta)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ta<6>,1|C<4>}	N[5](N[5]C[5]Ta)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ta<6>,1|B<4>}	107.3559	0.795	9	107.3962	0.378	18	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ta)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ta<7>,1|C<4>}	N[5](N[5]C[5]Ta)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ta<7>,1|B<4>}	107.5462	0.397	6	107.3962	0.378	18	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ta)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ta<8>,1|C<4>}	N[5](N[5]C[5]Ta)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ta<8>,1|B<4>}	107.2173	0.417	3	107.3962	0.378	18	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ti)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ti<6>,1|C<4>}	N[5](N[5]C[5]Ti)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ti<6>,1|B<4>}	107.5897	0.813	3	107.5897	0.661	3	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<3>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<3>,1|B<4>,2|C<3>}	107.7420	0.000	1	107.7472	0.203	117	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<4>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|B<4>,2|C<3>}	107.6892	0.383	39	107.7472	0.203	117	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<5>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<5>,1|B<4>,2|C<3>}	107.7766	0.483	77	107.7472	0.203	117	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|B<4>}	107.5476	0.358	17	107.5476	0.128	17	107.6498	0.351	1037	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO)	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO){1|Br<1>,1|C<4>}	C[5](C[5]N[5]C)2(Br){1|Fe<5>,1|C<4>}	105.4830	0.000	1	105.4830	0.000	1	105.3750	0.023	5	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(Br)	C[5](C[5]C[5]Br)(N[5]N[5]C)(CH3){1|Fe<4>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]CH){1|Br<1>,1|C<4>}	C[5](C[5]N[5]C)2(Br){1|Fe<4>,1|C<4>}	105.3480	0.161	4	105.3480	0.026	4	105.3750	0.023	5	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO)	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]C)2(Cl){1|Fe<5>,1|C<4>}	105.3720	0.000	1	105.3720	0.000	1	105.3720	0.000	1	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Fe<4>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>}	106.3376	0.325	9	106.2605	0.133	19	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Fe<5>,1|C<3>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>}	106.1911	0.402	10	106.2605	0.133	19	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Mg<4>,1|C<4>}	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|C<4>}	105.2195	0.233	2	105.2195	0.054	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]SiH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Mg<5>,1|C<4>}	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mg<5>,1|C<4>}	105.6320	0.317	2	105.6320	0.100	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Ni<4>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|C<4>}	105.9230	0.164	3	105.9230	0.027	3	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	107.1570	0.000	2	107.1570	0.000	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>}	106.3172	0.200	12	106.3295	0.050	17	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<5>,1|C<3>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>}	106.3592	0.299	5	106.3295	0.050	17	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CC3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	105.7625	0.995	4	105.7625	0.990	4	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Co<5>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<4>}	105.9555	0.066	2	105.9555	0.004	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	105.1993	0.447	3	105.1993	0.199	3	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	105.7690	0.025	2	105.7690	0.001	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Ir<4>,1|C<4>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<4>,1|C<4>}	106.5060	0.000	1	106.5060	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Rh<4>,1|C<4>}	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|C<4>}	106.0530	0.000	1	106.0530	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Zn<6>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<6>,1|C<4>}	105.8950	0.007	2	105.8950	0.000	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Al<4>,1|C<4>}	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Al<4>,1|C<4>}	107.3600	0.000	1	107.3600	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Al<4>,1|C<4>}	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Al<4>,1|C<4>}	106.6335	0.378	2	106.6335	0.143	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<7>,1|C<3>}	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){1|Cd<7>,1|C<3>,1|C<4>,1|N<3>}	107.0730	0.000	1	107.0730	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<4>}	106.2830	0.000	1	106.2830	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<7>,1|C<3>}	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){1|Cd<7>,1|C<3>,1|C<4>,1|N<3>}	107.1780	0.000	1	107.1780	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<4>}	106.0180	0.335	4	106.0507	0.139	10	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<6>,1|C<4>}	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cd<6>,1|C<4>}	106.0725	0.426	6	106.0507	0.139	10	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<6>,1|C<4>}	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cd<6>,1|C<4>}	106.2630	0.219	2	106.2630	0.048	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<5>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<4>}	106.5225	0.097	2	106.5225	0.009	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<4>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<4>,1|C<4>}	106.1362	0.561	6	106.0640	0.618	23	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<5>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<4>}	106.0385	0.866	17	106.0640	0.618	23	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<4>}	106.0093	0.528	9	106.0093	0.279	9	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cr<6>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|C<4>}	105.5685	0.538	2	105.5685	0.290	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cr<6>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|C<4>}	105.8901	0.415	14	105.8901	0.172	14	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]SiH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cr<6>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|C<4>}	105.9680	0.325	2	105.9680	0.106	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	106.9280	0.000	2	107.1336	0.256	11	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<3>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	106.9160	0.143	2	107.1336	0.256	11	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	107.2546	0.614	7	107.1336	0.256	11	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]HO)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]HO){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	106.9785	0.323	2	106.9785	0.104	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<3>,1|C<4>}	106.7160	0.390	2	106.0380	0.640	6	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	105.6990	0.745	4	106.0380	0.640	6	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	106.7117	0.220	4	106.7750	0.069	7	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	106.8593	0.341	3	106.7750	0.069	7	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	106.3545	0.301	2	106.3357	0.046	3	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	106.2980	0.000	1	106.3357	0.046	3	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<3>,1|C<4>}	105.8740	0.627	4	105.8740	0.393	4	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	105.7401	0.331	12	105.7401	0.110	12	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	106.2275	0.532	4	106.0902	0.215	6	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<6>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<6>,1|C<4>}	105.8155	0.011	2	106.0902	0.215	6	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<3>,1|C<4>}	106.9525	0.180	2	105.9398	0.310	18	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	105.8132	0.442	16	105.9398	0.310	18	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[6]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CN[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<3>,1|C<4>}	106.2710	0.146	2	106.2710	0.021	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Er)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Er<12>,1|C<4>}	N[5](N[5]C[5]Er)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Er<12>,1|C<4>}	105.8217	0.199	3	105.8217	0.040	3	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[6]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<4>}	106.4778	0.338	5	106.4778	0.115	5	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<4>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<4>,1|C<4>}	106.5085	0.122	2	106.3307	0.047	4	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<5>,1|C<4>}	106.1530	0.025	2	106.3307	0.047	4	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|H<1>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]2H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Fe<6>,1|C<4>}	105.7044	0.258	11	105.7044	0.066	11	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<4>}	105.7461	0.413	44	105.7461	0.171	44	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<4>}	106.3537	0.677	12	106.3537	0.459	12	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5a]HS)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CN[5a]HS){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<5>,1|C<4>}	105.5590	0.000	1	105.5590	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<4>,1|C<4>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<4>,1|C<4>}	107.4695	1.377	2	107.1367	1.280	3	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<4>}	106.4710	0.000	1	107.1367	1.280	3	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<4>}	105.9215	0.178	6	105.9215	0.032	6	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<4>}	105.3825	1.789	6	105.3825	3.201	6	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<8>,1|C<4>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<8>,1|C<4>}	106.0750	0.559	3	106.0750	0.312	3	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5a]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	N[5](N[5]C[5]Ir)(C[5]C[5]C)(CN[5a]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<4>}	105.7690	0.274	2	105.7690	0.075	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CC[5a]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<4>,1|C<4>}	N[5](N[5]C[5]Li)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Li<4>,1|C<4>}	105.9940	0.085	2	105.9940	0.007	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<4>,1|C<4>}	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Li<4>,1|C<4>}	105.2533	0.689	4	105.4845	0.466	6	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<8>,1|C<4>}	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Li<8>,1|C<4>}	105.9470	0.513	2	105.4845	0.466	6	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5a]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Li<4>,1|C<4>}	N[5](N[5]C[5]Li)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Li<4>,1|C<4>}	105.9725	0.175	2	105.9725	0.031	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<4>,1|C<4>}	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|C<4>}	105.8895	0.398	6	105.9944	0.121	12	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<8>,1|C<4>}	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mg<8>,1|C<4>}	106.0993	0.285	6	105.9944	0.121	12	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]MgC)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<4>,1|C<4>}	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]MgC){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|C<4>}	107.1970	0.260	2	107.1970	0.068	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]SiH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<5>,1|C<4>}	N[5](N[5]C[5]Mg)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mg<5>,1|C<4>}	106.0245	0.156	2	106.0245	0.024	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CC)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<4>}	106.4185	0.139	2	106.4185	0.019	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<4>}	106.0731	0.330	11	106.0731	0.109	11	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mn<6>,1|C<4>}	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mn<6>,1|C<4>}	106.0000	0.360	6	106.0000	0.130	6	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CC[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<7>,1|C<4>}	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CC[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|C<4>}	105.9615	0.011	2	105.9615	0.000	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<6>,1|C<4>}	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|C<4>}	106.0063	1.070	20	106.0063	1.144	20	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mo<6>,1|C<4>}	N[5](N[5]C[5]Mo)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mo<6>,1|C<4>}	106.1958	0.421	20	106.1958	0.177	20	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|C<4>}	107.1150	0.309	5	106.9689	0.129	7	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<5>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|C<4>}	106.6035	0.132	2	106.9689	0.129	7	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHO)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CCHO){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<4>}	106.4840	0.583	2	106.4840	0.339	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH)	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]C)(H){1|Fe<10>,1|Ni<4>,3|C<4>}	106.4250	0.000	1	106.4250	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<5>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<5>,1|C<4>}	106.2810	0.000	1	106.3426	0.029	5	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<4>}	106.3580	0.194	4	106.3426	0.029	5	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|C<4>}	106.7613	0.268	3	106.7613	0.072	3	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<4>}	106.0549	0.756	14	106.0549	0.572	14	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<4>}	105.7014	0.326	8	105.7014	0.106	8	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<4>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|C<4>}	106.6145	0.095	2	106.6145	0.009	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<4>}	105.9575	0.491	2	105.9575	0.242	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CSeHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CSeHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<6>,1|C<4>}	106.3280	0.137	2	106.3280	0.019	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<3>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>}	107.0565	0.366	2	107.0565	0.134	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	106.6700	0.699	32	106.6700	0.488	32	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5]CH)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<3>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5]CH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>}	106.2260	0.000	1	106.2260	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	106.7707	0.661	15	106.7707	0.437	15	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	105.8580	0.409	5	105.8580	0.167	5	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	106.3190	0.754	2	106.3190	0.568	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	106.7166	0.454	7	106.7166	0.206	7	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	106.7002	1.042	6	106.7002	1.085	6	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	106.2105	0.162	2	106.2105	0.026	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]SiH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	106.3058	0.158	8	106.3058	0.025	8	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<6>,1|C<4>}	N[5](N[5]C[5]Re)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Re<6>,1|C<4>}	106.6307	0.714	9	106.6307	0.509	9	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<6>,1|C<4>}	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Re<6>,1|C<4>}	105.8370	0.975	3	105.8370	0.952	3	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Re<8>,1|C<4>}	N[5](N[5]C[5]Re)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Re<8>,1|C<4>}	106.2755	0.165	2	106.2755	0.027	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<4>,1|C<4>}	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|C<4>}	106.5550	0.000	1	106.5550	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CHHO)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<6>,1|C<4>}	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CHHO){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|C<4>}	107.0490	0.000	1	107.0490	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<6>,1|C<4>}	N[5](N[5]C[5]Rh)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|C<4>}	105.9883	0.536	9	105.9883	0.287	9	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<7>,1|C<4>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<7>,1|C<4>}	106.9230	0.000	1	106.9230	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CC[6]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<9>,1|C<4>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CC[6]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|C<4>}	106.1220	0.000	1	106.1220	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CH3)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<3>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	107.7480	0.006	2	107.7480	0.000	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|H<1>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]2H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ru<6>,1|C<4>}	105.7950	0.268	3	105.7950	0.072	3	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CC)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<4>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CC){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<4>}	106.5045	0.069	2	106.5045	0.005	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<6>,1|C<4>}	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<6>,1|C<4>}	106.0673	0.444	30	106.0673	0.197	30	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Sc)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sc<6>,1|C<4>}	N[5](N[5]C[5]Sc)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Sc<6>,1|C<4>}	105.8190	0.000	1	105.8190	0.000	1	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Sm)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sm<6>,1|C<4>}	N[5](N[5]C[5]Sm)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Sm<6>,1|C<4>}	105.5457	0.283	3	105.6253	0.096	6	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Sm)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Sm<7>,1|C<4>}	N[5](N[5]C[5]Sm)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Sm<7>,1|C<4>}	105.7050	0.376	3	105.6253	0.096	6	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Ti)(C[5]C[5]C)(CN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ti<6>,1|C<4>}	N[5](N[5]C[5]Ti)(C[5]C[5]C)(CN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ti<6>,1|C<4>}	105.6418	0.319	9	105.6418	0.102	9	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	105.9549	0.676	7	106.1119	0.441	9	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<5>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<5>,1|C<4>}	106.6615	0.093	2	106.1119	0.441	9	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	106.8690	0.025	2	106.8690	0.001	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CHHN){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	106.4870	0.266	2	106.4870	0.071	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	106.0974	0.379	16	106.0974	0.143	16	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	106.0809	0.310	10	106.0809	0.096	10	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]SiH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	105.9998	0.175	4	105.9998	0.031	4	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]ZnH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]ZnH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	106.4560	1.271	4	106.4560	1.616	4	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5a]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	106.2490	0.133	2	106.2490	0.018	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Zr)(C[5]C[5]C)(CN[5]CH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zr<10>,1|C<4>}	N[5](N[5]C[5]Zr)(C[5]C[5]C)(CN[5]CH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zr<10>,1|C<4>}	106.2465	0.546	4	106.2465	0.298	4	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]Pd)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]Pd)(C[5]N[5]C)(H){1|C<3>,1|C<4>}	108.0567	0.334	4	108.0567	0.111	4	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ga<5>,1|C<4>}	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|O<2>}	C[5](C[5]N[5]C)2(H){1|Ga<5>,1|C<4>}	106.4660	0.000	1	106.5340	0.009	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ga<5>,1|C<4>}	N[5](N[5]Ga[6,6]C[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,2|N<4>,2|O<2>}	C[5](C[5]N[5]C)2(H){1|Ga<5>,1|C<4>}	106.6020	0.000	1	106.5340	0.009	2	106.1744	0.447	653	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:I-1:	C[5](C[5]C[5]I)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO)	C[5](C[5]N[5]C)2(I)	C[5](C[5]C[5]I)(N[5]N[5]C)(CH3){1|Fe<5>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(CCHO){1|C<4>,1|I<1>}	C[5](C[5]N[5]C)2(I){1|Fe<5>,1|C<4>}	106.3590	0.000	1	106.3590	0.000	1	106.3590	0.000	1	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[5]BN)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[5]BN){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	106.4980	0.000	1	106.4980	0.000	1	105.6654	0.688	5	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|H<1>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	105.4740	0.000	1	105.4740	0.000	1	105.6654	0.688	5	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	106.4270	0.000	1	106.4270	0.000	1	105.6654	0.688	5	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]N[5]Mo)(C[5]C[5]P)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|Mo<6>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]P)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	105.4430	0.000	1	105.4430	0.000	1	105.6654	0.688	5	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(PMn2N)	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(PMn2N){1|C<4>,1|H<1>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	104.4850	0.000	1	104.4850	0.000	1	105.6654	0.688	5	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(SiC3)	N[5](C[5]C[5]Si)(C[5]N[5]N)(CCCH)	C[5](C[5]N[5]Si)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(SiC3){1|C<4>,1|N<2>}	N[5](C[5]C[5]Si)(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]Si)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	105.6110	0.000	1	105.6110	0.000	1	105.6110	0.000	1	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:Ga-4:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3)	N[5](N[5]C[5]Ga)(C[5]C[5]C)(GaC[6a]3)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]Ga)(C[5]C[5]H)(CH3){1|Ga<3>,1|C<4>}	N[5](N[5]C[5]Ga)(C[5]C[5]C)(GaC[6a]3){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ga<3>,1|Ga<4>}	108.5610	0.000	1	108.5610	0.000	1	108.5610	0.000	1	107.2084	0.928	2251	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(NC)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<2>,1|O<2>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NC){1|C<3>,1|C<4>}	109.1410	0.000	1	109.1410	0.000	1	109.1410	0.000	1	108.8185	0.208	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:2:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]O)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(OH)	C[5](C[5]C[5]O)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){2|C<3>,2|O<2>}	C[5](C[5]N[5]C)(C[5]N[5]O)(OH){1|C<3>,1|C<4>}	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	108.8185	0.208	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)2(CPdN)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](C[5]N[5]C)2(CPdN){2|C<4>}	107.7810	0.000	1	107.7810	0.000	1	107.7615	0.001	2	107.4631	1.749	15	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(CPdN)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	C[5](C[5]N[5]C)2(CPdN){2|C<4>}	107.7420	0.000	1	107.7420	0.000	1	107.7615	0.001	2	107.4631	1.749	15	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)2(NOO)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	C[5](C[5]N[5]C)2(NOO){2|C<4>}	105.5353	0.153	4	105.5353	0.023	4	105.5353	0.023	4	107.4631	1.749	15	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(NNiC)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NNiC){1|C<3>,1|C<4>}	108.5871	0.162	7	108.5871	0.026	7	108.3732	0.389	8	107.4631	1.749	15	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(NSnC)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NSnC){1|C<3>,1|C<4>}	106.8760	0.000	1	106.8760	0.000	1	108.3732	0.389	8	107.4631	1.749	15	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-3:	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<3>}	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2){1|C<4>,1|S<1>}	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	107.4631	1.749	15	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(BC[6a]3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(BC[6a]3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|H<1>}	108.1830	0.000	1	108.1830	0.000	1	108.2433	0.012	3	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:B-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(BN[5]HH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(BN[5]HH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|H<1>}	108.2735	0.134	2	108.2735	0.018	2	108.2433	0.012	3	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH){1|Ni<4>,1|C<4>}	106.3160	1.254	2	106.3160	1.574	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[3,3]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<5>,1|C<4>}	N[5](C[5]B[3,3]N[5])(C[5]C[5]C)(CH3){1|B<5>,1|H<1>,2|C<4>,2|H<2>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<5>,1|C<4>}	106.7250	0.803	2	106.7250	0.645	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH){1|H<1>,2|B<6>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	107.3500	0.303	2	107.3500	0.092	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3){1|C<3>,4|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	106.5850	0.000	1	106.5850	0.000	1	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	N[5](C[5]B[3a]N[5])(C[5]C[5]C)(CH3){2|C<4>,3|C<3>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	106.5807	0.205	4	106.5807	0.042	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	107.4338	0.254	4	107.2470	0.188	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>,2|O<2>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	106.8735	0.571	2	107.2470	0.188	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	N[5](C[5]B[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	106.5000	0.455	2	106.5000	0.207	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	N[5](C[5]B[5a]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|O<2>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	107.1030	0.355	2	107.1030	0.126	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[6,6]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	N[5](C[5]B[6,6]N[5])(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	106.4870	0.129	4	106.4870	0.017	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	N[5](C[5]B[6]N[5])(C[5]C[5]C)(CCCH){1|C<3>,1|N<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	106.9320	0.338	4	106.9320	0.115	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]C[3]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	106.9497	0.216	6	106.9497	0.047	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<2>,1|C<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	107.3460	0.074	2	107.2923	0.013	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|Ga<3>,1|C<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	107.1765	0.081	2	107.2923	0.013	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	N[5](C[5]C[5]C)(C[5]N[5]2)(CCCH){1|In<2>,1|C<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	107.3545	0.122	2	107.2923	0.013	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CC3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	107.4625	1.160	2	107.4625	1.346	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	106.8809	0.103	8	106.8905	0.032	21	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	106.9456	0.208	9	106.8905	0.032	21	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<5>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<5>,1|C<4>}	106.7858	0.219	4	106.8905	0.032	21	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<3>,1|C<4>}	106.5394	0.212	16	106.5809	0.096	28	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]B)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|C<4>}	106.6362	0.410	12	106.5809	0.096	28	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CC3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	107.6640	0.179	9	107.6640	0.032	9	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	107.1270	0.096	2	107.1270	0.009	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	106.6625	0.261	2	106.3385	0.455	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CCHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	106.0145	0.937	2	106.3385	0.455	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	107.0913	0.481	8	107.0496	0.328	24	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	107.0288	0.628	16	107.0496	0.328	24	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){2|C<4>}	106.1120	0.000	1	106.1120	0.000	1	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	106.8563	0.397	20	106.8563	0.158	20	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	106.6942	0.108	4	106.6942	0.012	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){1|B<4>,1|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3){1|C<4>,1|H<1>}	106.1900	0.000	1	106.1900	0.000	1	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>}	106.7284	0.211	7	106.7284	0.045	7	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CN[5]HH)	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|B<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CN[5]HH){1|B<4>,1|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]B)(CH3){1|C<4>,1|H<1>}	105.8680	0.079	2	105.8680	0.006	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]I)(CC[6a]HH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|I<1>}	N[5](C[5]C[5]C)(C[5]N[5]I)(CC[6a]HH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|I<1>}	106.6937	0.337	4	106.6937	0.113	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CC3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<2>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CC3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<2>}	107.8035	0.086	2	107.8035	0.007	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<2>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<2>}	107.5277	0.335	33	107.3663	0.121	108	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	107.2953	0.331	75	107.3663	0.121	108	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	107.0286	0.282	20	107.0286	0.079	20	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<2>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<2>}	107.0228	0.549	8	107.0647	0.191	14	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<3>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<3>}	107.1590	0.219	4	107.0647	0.191	14	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<4>}	107.0440	0.430	2	107.0647	0.191	14	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<2>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CCHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<2>}	106.9548	0.126	4	106.9548	0.016	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<2>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<2>}	106.9118	0.204	22	106.9032	0.111	40	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<3>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<3>}	106.8603	0.316	16	106.9032	0.111	40	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<4>}	N[5](C[5]C[5]C)(C[5]N[5]P)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<4>}	107.1510	1.352	2	106.9032	0.111	40	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<1>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<1>}	107.1690	0.000	1	107.2747	0.037	10	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<2>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<2>}	107.2864	0.201	9	107.2747	0.037	10	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<2>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|S<2>}	106.8063	0.177	8	106.8063	0.031	8	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|N<3>,3|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	108.9257	1.409	4	108.2377	2.330	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|H<1>,1|N<3>,3|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	106.8615	0.120	2	108.2377	2.330	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	106.8830	0.225	4	106.9075	0.054	10	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,3|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	106.8185	0.465	2	106.9075	0.054	10	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){2|C<4>}	106.9765	0.165	4	106.9075	0.054	10	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	106.7420	0.201	2	106.7420	0.040	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(CC3){2|C<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	107.8675	0.071	2	107.8675	0.005	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ga<4>,1|C<4>}	N[5](C[5]Ga[5]N[5])(C[5]C[5]C)(CCCH){1|P<2>,2|C<4>,2|N<3>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ga<4>,1|C<4>}	107.0240	0.535	2	107.0240	0.286	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	N[5](C[5]Ge[3]N[5])(C[5]C[5]C)(CCCH){1|Fe<5>,1|Ge<4>,1|S<2>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	106.9857	0.258	4	106.9857	0.066	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<5>,1|C<4>}	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]C)(CCCH){2|C<4>,4|S<2>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<5>,1|C<4>}	106.9240	0.014	2	106.9240	0.000	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){1|Cl<1>,4|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	106.9560	0.303	2	106.9895	0.052	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<5>,1|C<4>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CCCH){2|Cl<1>,2|C<4>,2|O<2>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<5>,1|C<4>}	107.0230	0.243	2	106.9895	0.052	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3){2|Ge<4>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	106.3800	0.158	2	106.4925	0.031	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	N[5](C[5]Ge[5]N[5])(C[5]C[5]C)(CH3){2|Si<4>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	106.6050	0.133	2	106.4925	0.031	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	N[5](C[5]Ge[6]N[5])(C[5]C[5]C)(CCCH){1|O<1>,2|C<4>,2|N<3>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	107.0135	0.134	4	107.0135	0.018	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Ge[6a]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	N[5](C[5]Ge[6a]N[5])(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	106.6435	0.327	2	106.6435	0.107	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<3>,1|C<4>}	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<3>,1|C<4>}	106.7691	0.402	12	106.7250	0.086	24	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<4>,1|C<4>}	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<4>,1|C<4>}	106.6810	0.120	12	106.7250	0.086	24	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<4>,1|C<4>}	N[5](C[5]N[5]Al)(C[5]C[5]C)(CCHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<4>,1|C<4>}	106.4052	0.494	4	106.4052	0.244	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Al)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<4>,1|C<4>}	N[5](C[5]N[5]Al)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Al<4>,1|C<4>}	106.3405	0.088	2	106.3405	0.008	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|As<2>,1|C<4>}	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|As<2>,1|C<4>}	107.0565	0.094	2	106.7507	0.190	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|As<3>,1|C<4>}	N[5](C[5]N[5]As)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|As<3>,1|C<4>}	106.4450	0.433	2	106.7507	0.190	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Be<3>,1|C<4>}	N[5](C[5]N[5]Be)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Be<3>,1|C<4>}	106.3648	0.448	4	106.3648	0.201	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Cl<1>,1|C<4>}	N[5](C[5]N[5]Cl)(C[5]C[5]C)(CC[6a]HH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Cl<1>,1|C<4>}	106.9545	0.145	2	106.9545	0.021	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Co)(C[5]C[5]C)(CC3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<3>,1|C<4>}	N[5](C[5]N[5]Co)(C[5]C[5]C)(CC3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<3>,1|C<4>}	106.9313	0.323	6	106.9313	0.104	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Co)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<4>,1|C<4>}	N[5](C[5]N[5]Co)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<4>,1|C<4>}	106.6075	0.430	39	106.6075	0.185	39	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Co)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<4>,1|C<4>}	N[5](C[5]N[5]Co)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Co<4>,1|C<4>}	106.3618	0.121	20	106.3618	0.015	20	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Cu)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Cu<3>,1|C<4>}	N[5](C[5]N[5]Cu)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Cu<3>,1|C<4>}	106.6610	0.163	2	106.6610	0.026	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<3>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<3>,1|C<4>}	106.5268	0.418	12	106.5918	0.114	108	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<4>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<4>,1|C<4>}	106.5731	0.358	74	106.5918	0.114	108	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<5>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<5>,1|C<4>}	106.8240	0.195	4	106.5918	0.114	108	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<6>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<6>,1|C<4>}	106.4655	0.021	2	106.5918	0.114	108	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<7>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<7>,1|C<4>}	106.6552	0.139	9	106.5918	0.114	108	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<8>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<8>,1|C<4>}	106.7508	0.196	6	106.5918	0.114	108	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<9>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<9>,1|C<4>}	106.5570	0.000	1	106.5918	0.114	108	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<4>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CCHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<4>,1|C<4>}	106.4233	0.351	11	106.4233	0.123	11	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<4>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<4>,1|C<4>}	106.3526	0.235	8	106.3653	0.044	10	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<9>,1|C<4>}	N[5](C[5]N[5]Fe)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Fe<9>,1|C<4>}	106.4160	0.007	2	106.3653	0.044	10	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ga<4>,1|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ga<4>,1|C<4>}	106.6849	0.212	16	106.6849	0.045	16	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ga<4>,1|C<4>}	N[5](C[5]N[5]Ga)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ga<4>,1|C<4>}	106.2985	0.192	6	106.2985	0.037	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	106.9482	0.266	12	106.9893	0.118	26	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<4>,1|C<4>}	107.0246	0.405	14	106.9893	0.118	26	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ge<3>,1|C<4>}	106.4319	0.520	20	106.4319	0.270	20	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<7>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<7>,1|C<4>}	106.2947	0.707	4	106.3577	0.329	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	106.4835	0.312	2	106.3577	0.329	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<9>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CCHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<9>,1|C<4>}	105.7430	0.000	1	105.7430	0.000	1	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<8>,1|C<4>}	106.6684	0.528	16	106.6777	0.251	19	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<9>,1|C<4>}	N[5](C[5]N[5]Ir)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<9>,1|C<4>}	106.7273	0.400	3	106.6777	0.251	19	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<3>,1|C<4>}	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<3>,1|C<4>}	106.5537	0.227	4	106.5537	0.052	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<3>,1|C<4>}	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<3>,1|C<4>}	106.1270	0.787	4	106.1256	0.465	5	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<4>,1|C<4>}	N[5](C[5]N[5]Mg)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mg<4>,1|C<4>}	106.1200	0.000	1	106.1256	0.465	5	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<4>,1|C<4>}	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<4>,1|C<4>}	106.5860	0.310	4	106.5860	0.096	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<8>,1|C<4>}	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CCHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<8>,1|C<4>}	106.5010	0.414	2	106.5010	0.172	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<4>,1|C<4>}	N[5](C[5]N[5]Mn)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mn<4>,1|C<4>}	106.4975	0.509	8	106.4975	0.259	8	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mo<6>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mo<6>,1|C<4>}	106.6863	0.127	3	106.6863	0.016	3	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mo<6>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Mo<6>,1|C<4>}	106.6475	0.105	2	106.6475	0.011	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<3>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<3>,1|C<4>}	106.6683	0.212	4	106.6780	0.192	62	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<4>,1|C<4>}	106.6786	0.451	58	106.6780	0.192	62	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<3>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<3>,1|C<4>}	107.4970	0.844	2	106.5496	0.243	14	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<4>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<4>,1|C<4>}	106.4114	0.190	10	106.5496	0.243	14	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<5>,1|C<4>}	N[5](C[5]N[5]Ni)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ni<5>,1|C<4>}	106.2935	0.025	2	106.5496	0.243	14	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<3>}	N[5](C[5]N[5]P[3])(C[5]C[5]C)(CCCH){2|C<4>,2|P<3>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|P<3>}	107.2208	0.249	6	107.2208	0.062	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<4>}	106.6312	0.837	4	106.6312	0.701	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<4>}	106.6672	0.487	6	106.5581	0.223	8	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<7>,1|C<4>}	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<7>,1|C<4>}	106.2310	0.294	2	106.5581	0.223	8	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pt<4>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pt<4>,1|C<4>}	106.6098	0.245	4	106.6098	0.060	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pt<4>,1|C<4>}	N[5](C[5]N[5]Pt)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pt<4>,1|C<4>}	106.3855	0.564	4	106.3855	0.318	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Re)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Re<6>,1|C<4>}	N[5](C[5]N[5]Re)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Re<6>,1|C<4>}	106.7891	0.441	14	106.7891	0.194	14	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<4>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<4>,1|C<4>}	106.6476	0.169	10	106.7888	0.124	14	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<6>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<6>,1|C<4>}	107.1418	0.469	4	106.7888	0.124	14	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<4>,1|C<4>}	N[5](C[5]N[5]Rh)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Rh<4>,1|C<4>}	106.9340	0.687	2	106.9340	0.472	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<5>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<5>,1|C<4>}	106.7160	0.085	4	106.6739	0.108	22	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	106.6171	0.363	10	106.6739	0.108	22	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	106.7239	0.377	8	106.6739	0.108	22	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|H<1>}	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCCH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]H)(CH3){1|Ru<6>,1|C<4>}	106.4800	0.000	1	106.4800	0.000	1	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<5>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<5>,1|C<4>}	106.5760	0.444	14	106.6003	0.129	28	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	106.6483	0.271	4	106.6003	0.129	28	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CCHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	106.6151	0.277	10	106.6003	0.129	28	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<5>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<5>,1|C<4>}	106.7101	0.651	8	106.5447	0.233	18	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<6>,1|C<4>}	106.4635	0.134	4	106.5447	0.233	18	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<7>,1|C<4>}	106.3427	0.288	4	106.5447	0.233	18	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<9>,1|C<4>}	N[5](C[5]N[5]Ru)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ru<9>,1|C<4>}	106.4490	0.518	2	106.5447	0.233	18	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Se<2>,1|C<4>}	N[5](C[5]N[5]Se)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Se<2>,1|C<4>}	107.3907	0.238	4	107.3907	0.057	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CC3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CC3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	107.6335	0.046	2	107.6335	0.002	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	106.9007	0.225	10	106.9494	0.060	30	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	106.9738	0.257	20	106.9494	0.060	30	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	106.5846	0.276	22	106.6361	0.105	57	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	N[5](C[5]N[5]Si)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	106.6685	0.351	35	106.6361	0.105	57	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<3>,1|C<4>}	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<3>,1|C<4>}	106.7580	0.771	2	106.7580	0.594	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCHH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<3>,1|C<4>}	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CCHH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<3>,1|C<4>}	106.4025	0.301	2	106.4025	0.090	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<2>,1|C<4>}	N[5](C[5]N[5]Sn)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Sn<2>,1|C<4>}	106.3803	0.185	4	106.3803	0.034	4	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<6>,1|C<4>}	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<6>,1|C<4>}	106.6978	0.268	6	106.6978	0.072	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<12>,1|C<4>}	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<12>,1|C<4>}	106.5457	0.134	4	106.3593	0.337	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<6>,1|C<4>}	N[5](C[5]N[5]Ti)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ti<6>,1|C<4>}	105.9865	1.101	2	106.3593	0.337	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Zn)(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Zn<4>,1|C<4>}	N[5](C[5]N[5]Zn)(C[5]C[5]C)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Zn<4>,1|C<4>}	106.5510	0.091	2	106.5510	0.008	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	N[5](C[5]Si[3,5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	106.8580	0.253	2	106.8580	0.064	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	N[5](C[5]Si[3,6]N[5])(C[5]C[5]C)(CCCH){2|C<4>,2|N<3>,2|O<2>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<5>,1|C<4>}	107.2320	0.143	2	107.2320	0.020	2	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|P<3>,3|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	106.9820	0.218	2	107.0403	0.087	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){1|N<2>,1|N<3>,3|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	107.1820	0.263	2	107.0403	0.087	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	N[5](C[5]Si[3]N[5])(C[5]C[5]C)(CCCH){2|C<4>,3|C<3>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	106.9570	0.506	2	107.0403	0.087	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|C<6>,1|N<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<3>,1|C<4>}	106.8125	0.129	2	107.0220	0.118	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|As<2>,2|C<4>,2|N<3>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	107.2405	0.622	2	107.0220	0.118	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	N[5](C[5]Si[5]N[5])(C[5]C[5]C)(CCCH){1|B<4>,1|C<6>,1|N<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Si<4>,1|C<4>}	107.0130	0.055	2	107.0220	0.118	6	106.8001	0.241	1108	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]C)(C[5]N[5]S)(CC[6a]HH)	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH){1|C<4>,1|S<1>}	N[5](C[5]C[5]C)(C[5]N[5]S)(CC[6a]HH){2|C<4>}	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|S<1>,3|C<4>}	107.1230	0.000	1	107.1230	0.000	1	106.9806	0.533	9	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.8590	0.000	1	106.8590	0.000	1	106.9806	0.533	9	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CCHH)	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Ir<6>,1|C<3>}	N[5](C[5]C[6]N[5])(C[5]C[5]C)(CCHH){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](N[5]C[5]Ir)(C[5]N[5]C)(CH3){1|C<3>,1|C<4>}	108.0670	0.000	1	108.0670	0.000	1	106.9806	0.533	9	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6]HH){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Pd<5>,1|C<4>,2|C<3>}	105.3980	0.000	1	105.3980	0.000	1	106.9806	0.533	9	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<4>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6a]HH){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	106.9315	0.209	2	107.0756	0.126	5	106.9806	0.533	9	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6a]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|Pd<5>,1|C<3>}	N[5](C[5]N[5]Pd)(C[5]C[5]C)(CC[6a]HH){1|C<3>,1|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CH3){1|Pd<5>,1|C<4>,2|C<3>}	107.1717	0.441	3	107.0756	0.126	5	106.9806	0.533	9	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H)	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|C<4>,1|W<7>}	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H){2|C<4>}	C[5](C[5]N[5]C)2(CH3){1|B<4>,1|W<7>}	107.9866	0.479	12	107.9866	0.230	12	107.9866	0.230	12	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Co<6>,1|C<4>}	N[5](N[5]C[5]Co)(C[5]C[5]C)(BN[5]2H){2|C<4>}	C[5](C[5]N[5]C)2(CC[6a]HH){1|Co<6>,1|B<4>}	108.0452	0.317	5	108.0452	0.101	5	108.3369	0.349	19	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Fe<6>,1|C<4>}	N[5](N[5]C[5]Fe)(C[5]C[5]C)(BN[5]2H){2|C<4>}	C[5](C[5]N[5]C)2(CC[6a]HH){1|Fe<6>,1|B<4>}	108.0835	0.112	2	108.0835	0.013	2	108.3369	0.349	19	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Mo<6>,1|C<4>}	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2H){2|C<4>}	C[5](C[5]N[5]C)2(CCHH){1|Mo<6>,1|B<4>}	108.6592	0.958	6	108.6592	0.917	6	108.3369	0.349	19	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Ni<6>,1|C<4>}	N[5](N[5]C[5]Ni)(C[5]C[5]C)(BN[5]2H){2|C<4>}	C[5](C[5]N[5]C)2(CCHH){1|Ni<6>,1|B<4>}	108.3830	0.119	3	108.3830	0.014	3	108.3369	0.349	19	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Sm)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]B)(CH3){1|Sm<6>,1|C<4>}	N[5](N[5]C[5]Sm)(C[5]C[5]C)(BN[5]2H){2|C<4>}	C[5](C[5]N[5]C)2(CCHH){1|Sm<6>,1|B<4>}	108.3017	0.187	3	108.3017	0.035	3	108.3369	0.349	19	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN)	C[5](C[5]N[5]C)2(CH3)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|Cu<3>,1|C<4>}	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CHHN){2|C<4>}	C[5](C[5]N[5]C)2(CH3){1|Cu<3>,1|C<4>}	106.9160	0.740	12	106.9160	0.548	12	107.3856	1.388	15	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>}	109.2640	0.296	3	109.2640	0.088	3	107.3856	1.388	15	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-4:	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CCHH){1|C<4>,1|P<4>}	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	106.7710	0.000	1	106.7710	0.000	1	106.5323	0.714	7	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-4:	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	107.0210	0.000	1	107.0210	0.000	1	106.5323	0.714	7	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-4:	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	N[5](C[5]C[5]P)(C[5]N[5]W)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|W<6>}	N[5](C[5]C[5]P)(C[5]N[5]W)(CH3){1|C<4>,1|P<4>}	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|W<6>}	106.3405	1.131	4	106.3405	1.280	4	106.5323	0.714	7	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:P-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:P-4:	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2S)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2S)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2S){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|P<4>}	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2S){1|C<4>,1|S<1>}	106.5720	0.000	1	106.5720	0.000	1	106.5323	0.714	7	106.8481	0.320	1173	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH)	C[5](C[5,5]C[5]3)(C[5]N[5]C)(COO)	C[5](C[5]C[5,5]C)(N[5]C[5]C)(CH3){1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]N[5]C)(COO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	109.6886	0.222	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|O<1>,2|H<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	109.0300	0.000	1	109.0300	0.000	1	109.7630	0.259	4	109.6886	0.222	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	109.8970	0.000	1	109.8970	0.000	1	109.7630	0.259	4	109.6886	0.222	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CS)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,1|S<2>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	C[5](C[5]C[5]CS)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	110.2060	0.000	1	110.2060	0.000	1	109.7630	0.259	4	109.6886	0.222	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]SeC)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|Se<2>,1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|Se<2>,1|C<3>,1|C<4>}	C[5](C[5]C[5]SeC)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	109.9190	0.000	1	109.9190	0.000	1	109.7630	0.259	4	109.6886	0.222	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:3:5:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-5:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2HH)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Mo<7>,1|C<4>}	N[5](N[5]C[5]Mo)(C[5]C[5]C)(BN[5]2HH){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mo<7>,1|B<5>}	107.9497	0.862	3	107.9497	0.743	3	107.9497	0.743	3	107.9497	0.743	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:4:2:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:C-4:N[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN)	N[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CHHN){1|C<3>}	N[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|H<1>}	C[5](N[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<4>,2|C<3>}	105.0540	0.000	1	105.0540	0.000	1	105.0540	0.000	1	105.0540	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3)	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3){1|C<4>,2|C<3>}	N[5](C[5]C[5]B)(CC[6a]CH)(N[5]N[5]){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	102.0200	0.064	2	102.0200	0.004	2	102.0243	0.002	3	102.0243	0.002	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:4:2:	3:3:3:	C[5]-3:N[5]-3:B-4:	C[5]-3:C-4:N[5]-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3)	N[5](C[5]C[5]B)(CC[6a]HH)(N[5]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3){1|C<4>,2|C<3>}	N[5](C[5]C[5]B)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	102.0330	0.000	1	102.0330	0.000	1	102.0243	0.002	3	102.0243	0.002	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:4:2:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:S-4:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]O[5]S)(CCHH)	N[5](C[5]C[5]C)(SC[6a]OO)(O[5]C[5])	C[5](C[5]C[6a]2O[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]O[5]S)(CCHH){2|C<3>}	N[5](C[5]C[5]C)(SC[6a]OO)(O[5]C[5]){1|H<1>,2|C<3>}	C[5](C[5]C[6a]2O[5])(C[5]N[5]C)(H){1|S<4>,4|C<3>}	110.4700	0.000	1	110.4700	0.000	1	110.4700	0.000	1	110.4700	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:4:3:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	B[5]-3:C[5]-3:P-3:	C[5](N[5]C[6a]C[5])(C[5]B[5]P)(CC3)	N[5](C[6a]C[6a]2)(C[5]B[5]HH)(C[5]C[5]C)	C[5](B[5]C[6a]C[5])(C[5]N[5]C)(PC[6a]2)	C[5](N[5]C[6a]C[5])(C[5]B[5]P)(CC3){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]B[5]HH)(C[5]C[5]C){1|P<3>,2|C<4>,3|C<3>}	C[5](B[5]C[6a]C[5])(C[5]N[5]C)(PC[6a]2){2|H<1>,3|C<3>}	112.1280	0.000	1	112.1280	0.000	1	112.1280	0.000	1	112.2332	0.004	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:4:3:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO){1|C<4>,2|C<3>}	112.2595	0.020	4	112.2595	0.000	4	112.2595	0.000	4	112.2332	0.004	5	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	3:4:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	N[5a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)	N[5](N[5a]C[5a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3)	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	N[5](N[5a]C[5a]2)(C[5]C[5]CH)(C[5]C[5]C){2|C<3>,4|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,1|N<3>}	108.6110	0.000	1	108.6110	0.000	1	108.6110	0.000	1	108.6110	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:1:	2:3:3:	N[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	O[5]-2:C[5]-3:C-3:	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH)	N[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(O)	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2)	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH){2|C<4>}	N[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2){1|O<1>,2|C<4>}	107.6520	0.000	1	107.4995	0.047	2	107.5800	0.027	4	107.5800	0.027	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:1:	2:3:3:	N[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	O[5]-2:C[5]-3:C-3:	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH)	N[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(O)	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2)	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH){2|C<4>}	N[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2){1|O<1>,2|C<4>}	107.3470	0.000	1	107.4995	0.047	2	107.5800	0.027	4	107.5800	0.027	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:1:	2:3:3:	N[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	O[5]-2:C[5]-3:C-3:	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH)	N[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(O)	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2)	C[5](N[5]C[5,6]O)(C[5]O[5]C)(CCHH){1|C<4>,1|O<2>}	N[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2){1|C<4>,1|O<1>,1|O<2>}	107.6605	0.100	2	107.6605	0.010	2	107.5800	0.027	4	107.5800	0.027	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:1:	3:2:3:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-3:O[5]-2:C-3:	C[5](C[5]O[5]C)(N[5]C[5]O)(CCHH)	N[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(O)	C[5](C[5]N[5]C)(O[5]C[5])(CC[6a]2)	C[5](C[5]O[5]C)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>}	N[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(O){3|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(CC[6a]2){1|C<3>,1|C<4>,1|O<1>}	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(CC3)	N[5](C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]O)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC3){1|C<4>,1|O<1>,1|O<2>}	N[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]C)(COO){1|C<4>,1|H<1>,1|O<2>}	111.0690	0.134	2	111.0690	0.018	2	111.2145	0.111	4	111.2145	0.111	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:1:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO)	C[5](C[5]C[5]C)(N[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO){1|C<3>,1|C<4>,1|H<1>}	111.3600	0.479	2	111.3600	0.230	2	111.2145	0.111	4	111.2145	0.111	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(O)	C[5](C[5]C[5,6]C[6a]2)(C[5]N[5]C)(O)	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH){2|C<3>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]2)(C[5]N[5]C)(O){1|O<1>,2|C<4>,4|C<3>}	109.2440	0.000	1	109.2440	0.000	1	109.2875	0.004	2	109.2875	0.004	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:1:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:O-1:	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH)	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C)(O)	C[5](C[5]C[5,6]C[6a]2)(C[5]N[5]C)(O)	C[5](N[5]C[5,6]O)(C[5]C[5]O)(CCHH){1|C<4>,1|O<2>,2|C<3>}	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a]2)(C[5]N[5]C)(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	109.3310	0.000	1	109.3310	0.000	1	109.2875	0.004	2	109.2875	0.004	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH)	N[5](C[5]C[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CC[6a]2)	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CC[6a]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	109.1240	0.000	1	109.1240	0.000	1	109.4850	0.261	2	109.4850	0.261	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]N[5]C)(CC[6a]2)	C[5](C[5]C[5]C)(N[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O){1|C<4>,1|O<2>,3|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]C)(CC[6a]2){1|C<3>,1|H<1>,1|O<1>}	109.8460	0.000	1	109.8460	0.000	1	109.4850	0.261	2	109.4850	0.261	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(C[5]C[5]C)(N[5]C[5]H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|H<1>}	N[5](BN[5a]N[5]H)(C[5]C[5]C)(N[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|H<1>}	108.2050	0.000	1	108.2050	0.000	1	107.2710	4.331	5	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(C[5]C[5]C)(N[5]C[5]U)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|U<8>}	N[5](BN[5a]N[5]H)(C[5]C[5]C)(N[5]C[5]U){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|U<8>}	106.2800	3.725	2	106.2800	13.876	2	107.2710	4.331	5	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(C[5]C[5]C)(N[5]C[5]W)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|C<4>,1|W<8>}	N[5](BN[5a]N[5]H)(C[5]C[5]C)(N[5]C[5]W){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|B<4>,1|W<8>}	107.7950	0.247	2	107.7950	0.061	2	107.2710	4.331	5	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C)	C[5](C[5]N[5]C)2(Cl)	C[5](C[5]C[5]Cl)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<4>}	N[5](BN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C){1|Cl<1>,1|C<4>}	C[5](C[5]N[5]C)2(Cl){1|Rh<4>,1|B<4>}	106.8105	0.025	2	106.8105	0.001	2	106.8105	0.001	2	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](BN[5a]N[5]H)(N[5]C[5]Cr)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Cr<6>,1|C<4>}	N[5](BN[5a]N[5]H)(N[5]C[5]Cr)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<6>,1|B<4>}	108.3730	0.038	2	108.3730	0.001	2	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH)	N[5](BN[5a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CCCH){1|Pd<4>,1|C<4>}	N[5](BN[5a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|B<4>}	107.6673	0.805	12	107.6673	0.648	12	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BC[5]N[5]H)(N[5]C[5]Ni)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<4>,1|C<4>}	N[5](BC[5]N[5]H)(N[5]C[5]Ni)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ni<4>,1|B<4>}	108.1148	0.386	4	108.1148	0.149	4	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BC[5]N[5]H)(N[5]C[5]Zn)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zn<4>,1|C<4>}	N[5](BC[5]N[5]H)(N[5]C[5]Zn)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|B<4>}	108.3173	0.175	4	108.3173	0.031	4	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ir<6>,1|C<4>}	N[5](BN[5a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|B<4>}	107.5550	0.908	2	107.5550	0.824	2	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(N[5]C[5]Ni)(C[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<4>,1|C<3>}	N[5](BN[5a]N[5]H)(N[5]C[5]Ni)(C[5]C[5]C){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<4>,1|B<4>,2|C<3>}	108.0754	0.324	10	108.0092	0.111	12	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(N[5]C[5]Ni)(C[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Ni<5>,1|C<3>}	N[5](BN[5a]N[5]H)(N[5]C[5]Ni)(C[5]C[5]C){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<5>,1|B<4>,2|C<3>}	107.6780	0.115	2	108.0092	0.111	12	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pd<4>,1|C<4>}	N[5](BN[5a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|B<4>}	108.0429	0.650	8	108.0408	0.329	10	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pd<5>,1|C<4>}	N[5](BN[5a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<5>,1|B<4>}	108.0325	0.035	2	108.0408	0.329	10	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(N[5]C[5]Pt)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Pt<4>,1|C<4>}	N[5](BN[5a]N[5]H)(N[5]C[5]Pt)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pt<4>,1|B<4>}	108.2033	0.684	7	108.2033	0.468	7	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<3>}	N[5](BN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Rh<4>,1|B<4>,2|C<3>}	108.5765	0.056	2	108.5765	0.003	2	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<4>,1|C<4>}	N[5](BN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<4>,1|B<4>}	108.0454	0.463	8	107.9116	0.288	10	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<6>,1|C<4>}	N[5](BN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|B<4>}	107.3765	0.612	2	107.9116	0.288	10	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](BN[5a]N[5]H)(N[5]C[5]Zr)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Zr<11>,1|C<4>}	N[5](BN[5a]N[5]H)(N[5]C[5]Zr)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zr<11>,1|B<4>}	108.1625	0.144	2	108.1625	0.021	2	108.0019	0.328	67	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(C[5]C[5]C)(N[5]C[5]H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|C<4>,1|H<1>}	N[5](CC[6a]N[5]H)(C[5]C[5]C)(N[5]C[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|C<4>,1|H<1>}	105.8640	0.280	2	105.8640	0.078	2	105.8640	0.078	2	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH)	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CCCH){1|Cu<4>,1|C<4>}	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	105.6850	0.082	2	105.6850	0.007	2	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<6>,1|C<4>}	N[5](CC[5]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<6>,1|C<4>}	105.6895	0.211	2	105.6895	0.045	2	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[5]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](CC[5]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	106.3865	0.388	2	106.3865	0.151	2	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	N[5](CC[6]N[5]H)(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<4>}	106.0960	0.161	2	106.0960	0.026	2	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<4>,1|C<4>}	N[5](CC[6]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<4>,1|C<4>}	105.5780	0.386	2	105.5780	0.149	2	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](CC[6]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	106.1005	0.770	2	106.1005	0.593	2	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Cd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cd<5>,1|C<4>}	N[5](CC[6a]N[5]H)(N[5]C[5]Cd)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cd<5>,1|C<4>}	106.3102	0.098	4	106.3102	0.010	4	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<4>,1|C<4>}	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<4>,1|C<4>}	106.3143	0.397	8	106.2769	0.124	18	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<5>,1|C<4>}	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<5>,1|C<4>}	106.3585	0.264	8	106.2769	0.124	18	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Co<6>,1|C<4>}	N[5](CC[6a]N[5]H)(N[5]C[5]Co)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Co<6>,1|C<4>}	105.8010	0.016	2	106.2769	0.124	18	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Cu<5>,1|C<4>}	N[5](CC[6a]N[5]H)(N[5]C[5]Cu)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cu<5>,1|C<4>}	106.0716	0.448	14	106.0716	0.201	14	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Fe<4>,1|C<4>}	N[5](CC[6a]N[5]H)(N[5]C[5]Fe)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Fe<4>,1|C<4>}	105.7085	0.069	2	105.7085	0.005	2	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Mg)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<4>,1|C<4>}	N[5](CC[6a]N[5]H)(N[5]C[5]Mg)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mg<4>,1|C<4>}	106.2275	0.120	2	106.0983	0.181	6	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Mg)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Mg<6>,1|C<4>}	N[5](CC[6a]N[5]H)(N[5]C[5]Mg)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Mg<6>,1|C<4>}	106.0337	0.529	4	106.0983	0.181	6	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Pd<4>,1|C<4>}	N[5](CC[6a]N[5]H)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|C<4>}	106.2267	0.525	4	106.2267	0.276	4	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<9>,1|C<4>}	N[5](CC[6a]N[5]H)(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|C<4>}	106.2149	0.321	10	106.2149	0.103	10	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CC[6a]N[5]H)(N[5]C[5]Zn)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Zn<4>,1|C<4>}	N[5](CC[6a]N[5]H)(N[5]C[5]Zn)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Zn<4>,1|C<4>}	106.1914	0.504	8	106.1914	0.254	8	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CN[5a]C[5]H)(N[5]C[5]Ru)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ru<9>,1|C<4>}	N[5](CN[5a]C[5]H)(N[5]C[5]Ru)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ru<9>,1|C<4>}	105.9490	0.201	2	105.9490	0.040	2	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CN[5a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Ir<6>,1|C<4>}	N[5](CN[5a]N[5]H)(N[5]C[5]Ir)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Ir<6>,1|C<4>}	105.7895	0.443	4	105.7895	0.196	4	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<6>,1|C<4>}	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|C<4>}	105.8420	0.153	2	105.6102	0.123	6	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:C-4:	C-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3)	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]C)(CH3){1|Rh<7>,1|C<4>}	N[5](CN[5a]N[5]H)(N[5]C[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<7>,1|C<4>}	105.4943	0.380	4	105.6102	0.123	6	106.0845	0.179	90	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3)	N[5](C[6]C[6]2Ir)(C[5]N[5]Ir)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3){2|Ir<7>,1|C<3>,2|C<4>}	N[5](C[6]C[6]2Ir)(C[5]N[5]Ir)(C[5]C[5]B){1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Ir<7>,1|C<4>,2|C<3>}	102.3610	0.000	1	102.3610	0.000	1	102.1500	0.089	2	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:B-4:	C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3)	N[5](C[6]C[6]2Pd)(C[5]N[5]Pd)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(BC[6a]3){1|Pd<6>,1|C<4>,2|C<3>}	N[5](C[6]C[6]2Pd)(C[5]N[5]Pd)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]B)(H){1|Pd<6>,1|C<4>,2|C<3>}	101.9390	0.000	1	101.9390	0.000	1	102.1500	0.089	2	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	B[4,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[4,5]C[6a])(C[5]C[5]H)(CC3)	N[5](B[4,5]C[5]N[4]O[4])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]B[4,5]C)(C[5]N[5]C)(H)	C[5](N[5]B[4,5]C[6a])(C[5]C[5]H)(CC3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	N[5](B[4,5]C[5]N[4]O[4])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,3|C<4>,4|C<3>}	C[5](C[5]B[4,5]C)(C[5]N[5]C)(H){1|C<3>,1|N<3>,1|O<2>}	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	B[6,6]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(CH3)	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]C)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](N[5]B[6,6]N[5])(C[5]C[5]H)(CH3){1|Ni<5>,1|H<1>,1|N<3>,2|C<4>}	N[5](B[6,6]C[6,6]2N[5])(N[5]C[5]Ni)(C[5]C[5]C){1|C<3>,1|H<2>,1|N<3>,3|H<1>,4|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){1|Ni<5>,1|B<4>}	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	Ge[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CC3)	N[5](Ge[5]C[5]MgN)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[6a]Ge[5])(C[5]C[5]H)(CC3){1|Mg<4>,1|C<4>,1|N<3>,2|C<3>}	N[5](Ge[5]C[5]MgN)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]Ge[5]C)(C[5]N[5]C)(H){1|Mg<4>,1|C<3>,1|N<3>}	113.9260	0.000	1	113.9260	0.000	1	113.9260	0.000	1	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	P[6]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3)	N[5](P[6]N[5]N[6]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3){1|Pd<4>,1|C<4>,1|N<3>,2|N<2>}	N[5](P[6]N[5]N[6]2)(N[5]C[5]Pd)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|P<4>}	C[5](C[5]N[5]C)2(H){1|Pd<4>,1|P<4>}	105.7170	0.000	1	105.7170	0.000	1	105.9353	0.108	3	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	P[6]-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3)	N[5](P[6]N[5a]N[6]2)(N[5]C[5]Co)(C[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]N[5]P[6])(C[5]C[5]H)(CH3){1|Co<5>,1|C<4>,1|N<2>,2|N<3>}	N[5](P[6]N[5a]N[6]2)(N[5]C[5]Co)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|P<4>}	C[5](C[5]N[5]C)2(H){1|Co<5>,1|P<4>}	106.0445	0.380	2	106.0445	0.144	2	105.9353	0.108	3	106.8996	1.823	174	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	C[3]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH)	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH)	C[5](N[5]C[3]C[5])(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|S<1>,3|C<4>}	N[5](C[3]C[3]2H)(C[5]C[5]C)(C[5]N[5]S){2|C<4>,4|H<1>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CCHH){1|C<4>,1|S<1>}	106.8180	0.000	1	106.8180	0.000	1	106.8180	0.000	1	114.9481	13.884	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	Ga[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	N[5](Ga[5]Ga[5]N[5]Cl)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|Cl<1>,1|Ga<4>,3|C<3>}	N[5](Ga[5]Ga[5]N[5]Cl)(C[6a]C[6a]2)(C[5]C[5]C){1|Cl<1>,2|N<3>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|Cl<1>,1|Ga<4>,3|C<3>}	116.2475	0.527	2	116.2475	0.278	2	116.3032	1.238	6	114.9481	13.884	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	Ga[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	N[5](Ga[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){2|Cl<1>,3|C<3>}	N[5](Ga[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]C){3|C<3>,3|C<4>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){2|Cl<1>,3|C<3>}	115.1405	0.105	2	115.1405	0.011	2	116.3032	1.238	6	114.9481	13.884	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	Ga[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	N[5](Ga[5]N[5]N[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|N<3>,1|O<3>,3|C<3>}	N[5](Ga[5]N[5]N[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C){5|C<3>,5|C<4>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|N<3>,1|O<3>,3|C<3>}	117.5215	0.470	2	117.5215	0.221	2	116.3032	1.238	6	114.9481	13.884	7	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]H)(CH3)	N[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]N[5]C)(H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]H)(CH3){1|Zr<13>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]N[5]C)(H){1|Si<5>,1|C<3>,2|C<4>}	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	111.3937	12.189	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	N[5]-3:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(CH3)	N[5](C[5,6]C[5,6]C[6]Cr)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]N[5]C)(H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]Cr)(C[6a]C[6a]2)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]N[5]C)(H){1|C<3>,1|H<1>,2|C<4>}	109.5880	0.000	2	109.5880	0.000	2	109.5880	0.000	2	111.3937	12.189	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	4:3:1:	N[5]-3:C[5]-3:C-4:	Si[4,5]-4:C[6a]-3:C[5]-3:	C[4,5]-4:C[5]-3:H-1:	C[5](N[5]Si[4,5]C[6a])(C[5]C[4,5]H)(CH3)	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[4,5]Si[4,5]C[4,5]C)(C[5]N[5]C)(H)	C[5](N[5]Si[4,5]C[6a])(C[5]C[4,5]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,3|C<3>,5|C<4>}	C[5](C[4,5]Si[4,5]C[4,5]C)(C[5]N[5]C)(H){1|N<3>,2|C<3>,2|C<4>}	116.6290	0.000	1	116.6290	0.000	1	116.6290	0.000	1	111.3937	12.189	4	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[3x5]-4:C[5]-3:C-3:	C[3x5]-4:C[5]-3:C-3:	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(CH3)	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCH)	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO)	C[5](C[5]C[3x5]C)(N[5]C[3x5]C)(CH3){1|O<2>,3|C<3>}	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCH){6|C<3>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]N[5]C)(COO){1|C<2>,1|O<1>,1|O<2>,4|C<3>}	112.1450	0.000	1	112.1450	0.000	1	112.1450	0.000	1	111.1380	2.028	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:3:	4:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)	N[5](C[5]C[5]CC)(C[5]C[5]C)(CCO)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH){1|H<1>,3|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]C)(CCO){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(COO){5|C<3>}	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	111.1380	2.028	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]C)(H){1|H<1>,2|C<4>}	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]C)(CNO){1|C<3>,2|C<4>}	111.9600	0.000	1	111.9600	0.000	1	111.9600	0.000	1	112.1775	0.095	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[5,5]C)(C[5]C[5]C)(CH3)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5,5]O)(C[5]N[5]C)(CC[6a]O)	C[5](N[5]C[5,5]C)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(CC[6a]HH){1|O<1>,4|C<3>}	C[5](C[5]C[5,5]O)(C[5]N[5]C)(CC[6a]O){1|C<3>,1|C<4>,1|O<2>}	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	112.1775	0.095	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]N[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	109.7095	0.227	2	109.7095	0.052	2	109.7095	0.052	2	109.7095	0.052	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[6a]2C[5])(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH){2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO){1|H<1>,2|C<3>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]C)(H){1|S<4>,2|H<1>,4|C<3>}	108.6870	0.000	1	108.6870	0.000	1	109.7205	2.136	2	109.7205	2.136	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHS)	N[5](C[5]C[5]CH)(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHS){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]C)(SC[6a]OO){3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<4>,1|H<1>,1|S<4>}	110.7540	0.000	1	110.7540	0.000	1	109.7205	2.136	2	109.7205	2.136	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	5:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	Ga[6,6]-5:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3)	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3){1|N<3>,1|N<4>,2|C<4>,2|O<2>}	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5]N[5]C)2(H){1|Ga<5>,1|C<4>}	109.0770	0.000	1	109.4685	0.307	2	109.4685	0.307	2	111.8303	16.888	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	5:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	Ga[6,6]-5:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3)	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]N[5]C)2(H)	C[5](N[5]Ga[6,6]N[5])(C[5]C[5]H)(CH3){2|C<4>,2|N<4>,2|O<2>}	N[5](Ga[6,6]N[6]2O[6]2)(C[5]C[5]C)(N[5]C[5]C){2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]N[5]C)2(H){1|Ga<5>,1|C<4>}	109.8600	0.000	1	109.4685	0.307	2	109.4685	0.307	2	111.8303	16.888	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	5:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	Nb[5]-5:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Nb[5])(C[5]C[5]H)(CH3)	N[5](Nb[5]C[5]N[6]NN)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]Nb[5]C)(C[5]N[5]C)(H)	C[5](N[5]C[6a]Nb[5])(C[5]C[5]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	N[5](Nb[5]C[5]N[6]NN)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,3|C<4>,4|C<3>}	C[5](C[5]Nb[5]C)(C[5]N[5]C)(H){1|C<3>,1|N<3>,2|N<2>}	116.5540	0.000	1	116.5540	0.000	1	116.5540	0.000	1	111.8303	16.888	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	5:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	In[5]-5:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]In[5])(C[5]N[5]C)(CH3)	N[5](In[5]N[5]Cl3)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]In[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]In[5])(C[5]N[5]C)(CH3){3|Cl<1>,3|C<3>}	N[5](In[5]N[5]Cl3)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]In[5])(C[5]N[5]C)(CH3){3|Cl<1>,3|C<3>}	116.4860	0.300	2	116.4860	0.090	2	116.4860	0.090	2	116.4860	0.090	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	6:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	Nb[3,3,5]-6:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]Nb[3,3,5]C[6a])(C[5]C[5]H)(CH3)	N[5](Nb[3,3,5]Nb[3,3,5]C[5]O[3]2N)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]Nb[3,3,5]C)(C[5]N[5]C)(H)	C[5](N[5]Nb[3,3,5]C[6a])(C[5]C[5]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,2|C<3>,2|O<2>}	N[5](Nb[3,3,5]Nb[3,3,5]C[5]O[3]2N)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|N<2>,1|N<3>,3|C<3>,3|C<4>}	C[5](C[5]Nb[3,3,5]C)(C[5]N[5]C)(H){1|Nb<6>,1|C<3>,1|N<2>,2|O<2>}	117.0580	0.000	1	117.0580	0.000	1	117.0580	0.000	1	117.4807	0.177	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	6:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	Nb[3,5,5]-6:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]Nb[3,5,5]C[6a])(C[5]C[5]H)(CH3)	N[5](Nb[3,5,5]C[3,5]C[5]N[3]O[5]N)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]Nb[3,5,5]C)(C[5]N[5]C)(H)	C[5](N[5]Nb[3,5,5]C[6a])(C[5]C[5]H)(CH3){1|C<4>,1|C<5>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[5](Nb[3,5,5]C[3,5]C[5]N[3]O[5]N)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,4|C<4>,5|C<3>}	C[5](C[5]Nb[3,5,5]C)(C[5]N[5]C)(H){1|C<3>,1|C<5>,1|N<2>,1|N<3>,1|O<2>}	117.6920	0.293	2	117.6920	0.086	2	117.6920	0.086	2	117.4807	0.177	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:4:	6:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	Nb[5]-6:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]Nb[5])(C[5]N[5]C)(CH3)	N[5](Nb[5]N[5]Cl4)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]Nb[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]Nb[5])(C[5]N[5]C)(CH3){4|Cl<1>,3|C<3>}	N[5](Nb[5]N[5]Cl4)(C[6a]C[6a]2)(C[5]C[5]C){3|C<3>,3|C<4>}	C[5](N[5]C[6a]Nb[5])(C[5]N[5]C)(CH3){4|Cl<1>,3|C<3>}	115.6235	0.749	2	115.6235	0.561	2	115.6235	0.561	2	115.6235	0.561	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:3:5:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:Si-5:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl4)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(SiCl4){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){1|H<1>,3|C<3>}	104.9510	0.000	1	104.9510	0.000	1	104.9510	0.000	1	104.9510	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:4:3:	3:3:3:	3:3:1:	N[5]-3:Ga[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(Ga[5]N[5]2I)(C[5]N[5]H)	N[5](C[5]Ga[5]C[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]Ga[5]N[5])(N[5]C[6a]C[5])(H)	C[5](N[5]C[6a]C[5])(Ga[5]N[5]2I)(C[5]N[5]H){1|H<1>,7|C<3>}	N[5](C[5]Ga[5]C[5])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,1|I<1>,2|C<4>,2|N<3>,3|C<3>}	C[5](C[5]Ga[5]N[5])(N[5]C[6a]C[5])(H){1|H<1>,1|I<1>,2|N<3>,3|C<3>}	104.7700	0.000	1	104.7700	0.000	1	104.0330	1.086	2	104.0330	1.086	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:4:3:	3:3:3:	3:3:1:	N[5]-3:Ga[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(Ga[5]N[5]2P)(C[5]N[5]H)	N[5](C[5]Ga[5]C[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]Ga[5]N[5])(N[5]C[6a]C[5])(H)	C[5](N[5]C[6a]C[5])(Ga[5]N[5]2P)(C[5]N[5]H){1|H<1>,7|C<3>}	N[5](C[5]Ga[5]C[5])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,1|P<2>,2|C<4>,2|N<3>,3|C<3>}	C[5](C[5]Ga[5]N[5])(N[5]C[6a]C[5])(H){1|H<1>,1|P<2>,2|N<3>,3|C<3>}	103.2960	0.000	1	103.2960	0.000	1	104.0330	1.086	2	104.0330	1.086	2	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:4:3:	3:4:2:	3:4:3:	C[5]-3:C[5]-4:N[5]-3:	C[5]-3:C-4:N[5]-2:	C[5]-3:P[6]-4:N[5]-3:	C[5](C[5]N[5]P[6])(C[5]C[5]2Fe)(N[5]N[5]C)	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5])	C[5](C[5]C[5]N[5])(P[6]N[6]2F)(N[5]N[5]Pd)	C[5](C[5]N[5]P[6])(C[5]C[5]2Fe)(N[5]N[5]C){1|Pd<4>,1|F<1>,2|C<4>,2|H<1>,2|N<2>}	N[5](C[5]C[5]2)(CC[6a]HH)(N[5]N[5]){1|Fe<10>,1|Pd<4>,1|P<4>,2|C<4>}	C[5](C[5]C[5]N[5])(P[6]N[6]2F)(N[5]N[5]Pd){1|Fe<10>,2|P<4>,3|C<4>}	103.1510	0.000	1	103.1510	0.000	1	103.1510	0.000	1	103.1510	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:4:3:	3:4:3:	3:2:1:	N[5]-3:C[4]-4:C[5]-3:	C[5]-3:C[6]-4:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[5]C[6])(C[4]C[4]2H)(C[5]S[5]H)	N[5](C[5]C[4]C[5])(C[6]C[6]2H)(C[5]S[5]S)	C[5](C[5]C[4]N[5])(S[5]C[5])(H)	C[5](N[5]C[5]C[6])(C[4]C[4]2H)(C[5]S[5]H){1|S<1>,3|C<4>,5|H<1>}	N[5](C[5]C[4]C[5])(C[6]C[6]2H)(C[5]S[5]S){4|C<4>,6|H<1>}	C[5](C[5]C[4]N[5])(S[5]C[5])(H){1|H<1>,1|S<1>,3|C<4>}	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:5:3:	3:3:3:	3:3:1:	N[5]-3:Si-5:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(SiC[5]2ClFe)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]Ge)	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	C[5](N[5]C[6a]C[5])(SiC[5]2ClFe)(C[5]N[5]H){1|Ge<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]Ge){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){1|Ge<3>,3|C<3>}	103.5620	0.000	1	103.5620	0.000	1	104.7307	1.054	3	104.7307	1.054	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	3:5:3:	3:3:3:	3:3:1:	N[5]-3:Si-5:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(SiC[5]Cl3)(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H)	C[5](N[5]C[6a]C[5])(SiC[5]Cl3)(C[5]N[5]H){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Si)(H){1|H<1>,3|C<3>}	105.3150	0.242	2	105.3150	0.058	2	104.7307	1.054	3	104.7307	1.054	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:2:1:	3:2:1:	C[3x6]-4:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5]-2:Br-1:	C[5](C[3x6]C[6,6]3)(C[5]N[5]Br)(N[5]O[5]O)	N[5](C[5]C[3x6]C[5])(O[5]N[5])(O)	C[5](C[5]C[3x6]N[5])(N[5]O[5])(Br)	C[5](C[3x6]C[6,6]3)(C[5]N[5]Br)(N[5]O[5]O){3|C<4>,6|H<1>}	N[5](C[5]C[3x6]C[5])(O[5]N[5])(O){1|Br<1>,3|C<4>}	C[5](C[5]C[3x6]N[5])(N[5]O[5])(Br){1|O<1>,3|C<4>}	103.6910	0.000	1	103.6910	0.000	1	103.6910	0.000	1	103.6910	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:2:4:	3:3:1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](C[5]C[5]N[5])(N[5]C[5]N[5])(H)	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]C){2|H<1>,3|C<4>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|H<1>,3|C<4>}	C[5](C[5]C[5]N[5])(N[5]C[5]N[5])(H){2|Fe<10>,5|C<4>}	104.5160	0.000	1	104.5160	0.000	1	104.5160	0.000	1	104.3853	0.189	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:2:4:	3:3:1:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-2:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]C)	N[5](C[5]C[5]2)(N[5]N[5])(CH3)	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]2Fe)(C[5]N[5]H)(N[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]2)(N[5]N[5])(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[5](N[5]C[6a]N[5])(C[5]C[5]N[5])(H){1|Fe<10>,2|C<3>,3|C<4>}	104.3200	0.594	2	104.3200	0.353	2	104.3200	0.353	2	104.3853	0.189	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:2:1:	C-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-2:H-1:	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5]C[5]C)2(H)	C[5](C[5]N[5]C)(C[5]C[5])(H)	C[5](CC[6a]2C[5])(C[5]C[5]H)(N[5]C[5]H){1|C<4>}	N[5](C[5]C[5]C)2(H){1|H<1>}	C[5](C[5]N[5]C)(C[5]C[5])(H){1|C<4>,1|H<1>}	105.2150	0.000	1	105.2150	0.000	1	105.2150	0.000	1	109.4330	13.460	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:2:1:	C[4]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:H-1:	C[5](C[4]C[4]2H)(C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]C[4]C[5])(C[5]S[5]N)(H)	C[5](C[5]C[4]N[5])(S[5]C[5])(H)	C[5](C[4]C[4]2H)(C[5]S[5]H)(N[5]C[5]H){1|C<4>,1|N<2>,4|H<1>}	N[5](C[5]C[4]C[5])(C[5]S[5]N)(H){2|C<4>,2|H<1>}	C[5](C[5]C[4]N[5])(S[5]C[5])(H){1|N<2>,2|C<4>,2|H<1>}	111.5420	0.482	2	111.5420	0.233	2	111.5420	0.233	2	109.4330	13.460	3	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[3x6]-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[3x6]C[5])(N[5]C[5]Cu)(H)	C[5](C[5]C[3x6]N[5])(C[5]C[6]N[5])(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,1|C<3>,3|C<4>,6|H<1>}	N[5](C[5]C[3x6]C[5])(N[5]C[5]Cu)(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[3x6]N[5])(C[5]C[6]N[5])(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	105.9180	0.000	1	105.9180	0.000	1	105.9180	0.000	1	106.1951	0.069	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5]H)	N[5](N[5]C[5]Ni)(C[5]C[5]2)(H)	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]2Fe)(C[5]C[5]H)(N[5]N[5]H){1|Ni<6>,2|C<4>,3|H<1>}	N[5](N[5]C[5]Ni)(C[5]C[5]2)(H){1|Fe<10>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]N[5]H)(H){1|Fe<10>,1|Ni<6>,1|H<1>,2|C<4>}	105.9860	0.088	2	105.9860	0.008	2	105.9860	0.008	2	106.1951	0.069	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[5]C[6])(N[5]C[5]Zn)(H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|C<4>,5|H<1>}	N[5](C[5]C[5]C[6])(N[5]C[5]Zn)(H){2|C<4>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Zn<4>,2|C<4>,2|H<1>}	106.2944	0.252	7	106.2944	0.063	7	106.2944	0.063	7	106.1951	0.069	10	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:2:	3:3:1:	C[5]-4:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5,6]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]H){4|C<3>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]N[5]){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	104.8550	0.000	1	104.8550	0.000	1	104.8550	0.000	1	104.8550	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[6,6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](B[6,6]C[6,6]2H)(C[5]C[6a]N[5])(N[5]C[6a]C[5])	N[5](C[5]B[6,6]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]B[6,6]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[6,6]C[6,6]2H)(C[5]C[6a]N[5])(N[5]C[6a]C[5]){2|H<1>,4|C<4>,6|C<3>}	N[5](C[5]B[6,6]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,4|C<4>,6|C<3>}	C[5](C[5]B[6,6]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	103.7110	0.000	1	103.7110	0.000	1	103.7110	0.000	1	103.7110	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:4:	3:2:1:	C[4]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:H-1:	C[5](C[4]C[4]2H)(C[5]S[5]H)(N[5]C[5]C)	N[5](C[5]C[4]C[5])(C[5]S[5]S)(CCHH)	C[5](C[5]C[4]N[5])(S[5]C[5])(H)	C[5](C[4]C[4]2H)(C[5]S[5]H)(N[5]C[5]C){1|C<4>,1|S<1>,4|H<1>}	N[5](C[5]C[4]C[5])(C[5]S[5]S)(CCHH){2|C<4>,2|H<1>}	C[5](C[5]C[4]N[5])(S[5]C[5])(H){1|H<1>,1|S<1>,3|C<4>}	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:4:	3:3:1:	In-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](InGa[6]CC)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]C[5]In)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]In)(N[5]C[5]C)(H)	C[5](InGa[6]CC)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>}	N[5](C[5]C[5]In)(C[5]N[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]In)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	103.0640	0.000	1	103.0640	0.000	1	103.0640	0.000	1	105.7406	1.397	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:4:	3:3:1:	P-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](PC[6a]2Mo)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]N[5]Mo)(C[5]C[5]P)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	C[5](PC[6a]2Mo)(C[5]N[5]H)(N[5]C[5]C){1|Mo<6>,1|C<4>}	N[5](C[5]N[5]Mo)(C[5]C[5]P)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|Mo<6>,1|C<4>}	105.5330	0.000	1	105.5330	0.000	1	106.1230	0.265	7	105.7406	1.397	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:4:	3:3:1:	P-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](PC[6a]2Se)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	C[5](PC[6a]2Se)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	106.3350	0.573	4	106.3350	0.329	4	106.1230	0.265	7	105.7406	1.397	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:4:	3:3:1:	P-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C)	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(H)	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<1>}	N[5](C[5]C[5]P)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]P)(N[5]C[5]C)(H){1|C<4>,1|S<1>}	105.9940	0.211	2	105.9940	0.044	2	106.1230	0.265	7	105.7406	1.397	8	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:4:	3:3:2:	P-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:I-2:	C[5](PC[6a]2Au)(C[5]N[5]I)(N[5]C[5]C)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]P)(N[5]C[5]C)(IAu)	C[5](PC[6a]2Au)(C[5]N[5]I)(N[5]C[5]C){1|C<4>,1|H<1>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|I<2>}	C[5](C[5]N[5]P)(N[5]C[5]C)(IAu){1|C<4>,1|H<1>}	105.7080	0.000	1	105.7080	0.000	1	105.7080	0.000	1	105.7080	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:3:4:	4:3:3:	P-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	P-4:C[5]-3:N[5]-3:	C[5](PC[6a]2Cu)(C[5]N[5]P)(N[5]C[5]C)	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3)	C[5](PC[6a]2Cu)(C[5]N[5]P)(N[5]C[5]C)	C[5](PC[6a]2Cu)(C[5]N[5]P)(N[5]C[5]C){1|C<4>,1|H<1>}	N[5](C[5]C[5]P)(C[5]N[5]H)(CH3){1|C<4>,1|P<4>}	C[5](PC[6a]2Cu)(C[5]N[5]P)(N[5]C[5]C){1|C<4>,1|H<1>}	106.6696	0.568	12	106.6696	0.322	12	106.6696	0.322	12	106.6696	0.322	12	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP2	C[5]	N[5]	C[5]	4:3:3:	3:4:4:	3:3:1:	Ga[5]-4:N[5]-3:C[5]-3:	C[5]-3:Ga[5]-4:C-4:	C[5]-3:N[5]-3:H-1:	C[5](Ga[5]N[5]2N)(N[5]Ga[5]C)(C[5]N[5]H)	N[5](C[5]Ga[5]C[5])(Ga[5]N[5]CN)(CC3)	C[5](C[5]Ga[5]N[5])(N[5]Ga[5]C)(H)	C[5](Ga[5]N[5]2N)(N[5]Ga[5]C)(C[5]N[5]H){1|N<3>,2|C<3>,4|C<4>}	N[5](C[5]Ga[5]C[5])(Ga[5]N[5]CN)(CC3){1|C<4>,1|H<1>,3|N<3>}	C[5](C[5]Ga[5]N[5])(N[5]Ga[5]C)(H){2|C<4>,4|N<3>}	112.5670	0.000	1	112.5670	0.000	1	112.5670	0.000	1	112.5670	0.000	1	107.3644	4.144	25336	107.4711	4.934	26589
818	542	818	5:SP2_SP2_SP3	C[5,5]	N[3x5]	C[5]	3:4:3:	4:4:3:	3:3:1:	N[3x5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5,5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2)	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]O)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2){1|Br<1>,1|O<1>,6|H<1>}	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]O)(H){1|C<3>,2|C<4>,3|H<1>}	113.6070	0.000	1	113.6070	0.000	1	113.6070	0.000	1	113.6070	0.000	1	113.6070	0.000	1	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,5]	N[5,5]	C[5,6]	3:3:4:	4:3:4:	3:3:3:	C[5,6]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-3:Si[5]-4:	C[4,6]-3:C[5,5]-3:N[5,6]-3:	C[5,5](C[5,6]C[4,6]N[5,6])(N[5,5]C[5,5]Si[5])(C[5]C[5,5]HH)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,6]C[5])(Si[5]N[5,6]CC)	C[5,6](C[4,6]C[4,6]Si[4])(C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])	C[5,5](C[5,6]C[4,6]N[5,6])(N[5,5]C[5,5]Si[5])(C[5]C[5,5]HH){1|Si<4>,2|C<3>,2|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,6]C[5])(Si[5]N[5,6]CC){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[4,6]C[4,6]Si[4])(C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6]){1|Si<4>,1|C<3>,3|H<1>,6|C<4>}	116.6490	0.000	1	116.6490	0.000	1	116.6490	0.000	1	116.6490	0.000	1	116.6490	0.000	1	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,5]	N[5,5]	C[5]	3:3:3:	3:4:4:	3:4:3:	N[5,5]-3:C[5]-3:N[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:	C[5,5]-3:C[5]-4:N-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]N)(N[5]C[5]C)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HO)(NOO)	C[5,5](N[5,5]C[5]2)(C[5]C[5]N)(N[5]C[5]C){1|C<4>,2|O<2>,5|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HO)(NOO){1|O<2>,4|C<4>}	109.3585	0.327	2	109.3585	0.107	2	109.3585	0.107	2	109.3585	0.107	2	109.3585	0.107	2	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,1|N<3>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,1|N<3>,6|C<3>}	118.8440	0.000	1	118.8440	0.000	1	119.0050	0.052	2	119.0050	0.052	2	116.4223	20.036	3	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,5]	N[5]	C[5,5]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<3>,1|P<2>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<3>,1|P<2>,6|C<3>}	119.1660	0.000	1	119.1660	0.000	1	119.0050	0.052	2	119.0050	0.052	2	116.4223	20.036	3	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,5]	N[5]	C[5,5]	4:3:3:	3:4:4:	3:4:3:	C[5,6]-4:C[5,5]-3:N[5]-3:	C[5,5]-3:C[5]-4:S-4:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S)	N[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]C[5,6]N[5])(C[5]C[5]HH)(C[5]O[5]O)	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S){1|O<1>,2|C<4>,8|H<1>}	N[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6]N[5])(C[5]C[5]HH)(C[5]O[5]O){1|S<4>,2|C<4>,2|H<1>}	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	116.4223	20.036	3	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,6]	N[5,5]	C[5,6]	3:3:3:	4:3:4:	3:3:3:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH)	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]C)(C[6]C[6]O)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	112.9380	0.000	1	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,6]	N[5,6]	C[5]	3:2:3:	4:3:2:	3:3:1:	N[5,6]-3:N[6]-2:C[5]-3:	C[5,6]-4:C[5,6]-3:O[5]-2:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[5,6]O[5])(N[6]C[6,6])(C[5]C[5]H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]N[6])(O[5]C[5])	C[5](C[5,6]N[5,6]N[6])(C[5]O[5]C)(H)	C[5,6](N[5,6]C[5,6]O[5])(N[6]C[6,6])(C[5]C[5]H){1|H<1>,5|C<4>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]N[6])(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]N[6])(C[5]O[5]C)(H){2|C<4>}	106.7830	0.000	1	106.7830	0.000	1	106.7830	0.000	1	106.7830	0.000	1	109.6910	11.751	5	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,6]	N[5,6]	C[5]	3:3:3:	3:4:4:	3:4:4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-4:S[6]-4:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(S[6]O[6]OO)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(S[6]O[6]OO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH){1|S<4>,2|H<1>,4|C<3>}	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	109.6910	11.751	5	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O)	N[5,6](C[5,6]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O)	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){2|H<1>,2|N<3>,2|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.2605	0.438	2	108.2605	0.192	2	108.2605	0.192	2	108.2605	0.192	2	109.6910	11.751	5	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,6]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:4:	N[5,6]-3:N[6]-3:C[5]-3:	C[3,5,6]-4:C[5,6]-3:C[6]-3:	P[3,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]C[3,5,6]C[6])(N[6]C[6a]C[6])(C[5]P[3,5]C)	N[5,6](C[3,5,6]C[3,6]P[3,5]C[6])(C[5,6]C[5]N[6])(C[6]C[6]O)	C[5](P[3,5]C[3,5,6]C[3,6])(C[5,6]N[5,6]N[6])(CC3)	C[5,6](N[5,6]C[3,5,6]C[6])(N[6]C[6a]C[6])(C[5]P[3,5]C){2|C<4>,2|O<1>,3|C<3>}	N[5,6](C[3,5,6]C[3,6]P[3,5]C[6])(C[5,6]C[5]N[6])(C[6]C[6]O){4|C<3>,5|C<4>}	C[5](P[3,5]C[3,5,6]C[3,6])(C[5,6]N[5,6]N[6])(CC3){1|C<4>,5|C<3>}	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	115.5440	0.000	1	109.6910	11.751	5	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,6]	N[5]	C[5,6]	3:3:3:	3:4:4:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|O<1>,2|C<3>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|O<1>,2|C<3>,3|C<4>}	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	111.5630	10.608	2	111.6705	3.592	4	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,6]	N[5]	C[5,6]	3:3:3:	3:4:4:	3:3:3:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6]-3:C[5]-3:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(N[5]C[5]C)(N[6]C[6]C)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CC[6a]CH)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]O)(N[6]C[6]C)	C[5,6](C[5,6]C[5]N[6])(N[5]C[5]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CC[6a]CH){1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]O)(N[6]C[6]C){1|O<1>,2|H<1>,3|C<4>}	113.8660	0.000	1	113.8660	0.000	1	113.8660	0.000	1	111.5630	10.608	2	111.6705	3.592	4	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,6]	N[5]	C[5,6]	3:3:3:	3:4:4:	3:4:4:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-4:S-4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(SC[6a]OO)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){2|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	112.0240	0.000	1	112.0240	0.000	1	111.7780	0.121	2	111.7780	0.121	2	111.6705	3.592	4	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5,6]	N[5]	C[5,6]	3:3:3:	3:4:4:	3:4:4:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-4:S-4:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]N[6]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]N[6]CH){1|S<4>,2|H<1>,3|C<3>}	111.5320	0.000	1	111.5320	0.000	1	111.7780	0.121	2	111.7780	0.121	2	111.6705	3.592	4	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5,5]-3:C[5]-3:H-1:	N[5,5,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]C)(H)	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]N[5,5]H)(CCO)	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]C)(H){1|C<3>,1|O<1>,3|C<4>}	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]N[5,5]H)(CCO){2|C<4>,2|H<1>,3|C<3>}	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	111.1565	0.883	2	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	3:3:3:	4:3:3:	N[5,5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]H)(CCO)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]H)(CCO){1|C<4>,3|C<3>}	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	111.1565	0.883	2	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	3:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]Cl)(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O)	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]Cl)(O){1|Cl<1>,1|P<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]Cl)(C[5]N[5,5]O)(Cl){1|P<4>,2|C<3>}	105.5190	0.000	1	105.5190	0.000	1	105.5190	0.000	1	105.5190	0.000	1	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:3:3:	3:2:4:	N[5,5]-3:C[5]-3:H-1:	P[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H)	N[5,5](P[5,5]O[5]2N)(C[5]C[5]H)2	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3)	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[5,5](P[5,5]O[5]2N)(C[5]C[5]H)2{2|C<4>}	C[5](C[5]N[5,5]H)(O[5]P[5,5])(CC3){1|C<3>,1|N<2>,1|O<2>}	113.5095	0.398	2	113.5095	0.158	2	113.5095	0.158	2	113.5095	0.158	2	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5]H)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5](N[5]C[5,5,6]C)(C[5]N[5,5]H)(H)	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5]H)(H){1|N<3>,2|C<3>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[5,5,6]C)(C[5]N[5,5]H)(H){1|C<3>,1|C<4>,1|N<3>}	109.7813	0.208	3	109.7813	0.043	3	109.7813	0.043	3	109.4458	0.479	4	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H)	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]H)(H){1|Ge<3>,1|N<3>,3|C<3>}	N[5,5](C[5,5]C[6a]Ge[5]N[5])(C[5]C[6a]N[5])(C[5]C[5]H){1|H<1>,1|I<1>,6|C<3>}	C[5](C[5]N[5,5]H)(N[5]C[5,5]C)(H){1|Ge<3>,2|C<3>}	108.4390	0.000	1	108.4390	0.000	1	108.4390	0.000	1	109.4458	0.479	4	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:2:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]H)(H)	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]N[5,5]H)(S[5]C[5,5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]N[5,5]H)(S[5]C[5,5])(H){1|H<1>,2|C<4>}	114.0890	0.000	1	114.0890	0.000	1	114.0890	0.000	1	114.0890	0.000	1	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)	N[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]CC)(C[5]C[5]H)	C[5](C[5]C[5,5]O)(C[5]N[5,5]H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H){1|O<1>,1|O<2>,4|C<4>}	N[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]H)(H){1|O<2>,2|C<4>}	114.0160	0.000	1	114.0160	0.000	1	114.0160	0.000	1	107.4751	7.676	8	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5,6,6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5]H)(O)	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(C[5]C[5]O)	C[5](C[5]C[5,5,6,6]C)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5]H)(O){1|H<1>,2|C<3>,3|C<4>}	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(C[5]C[5]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6,6]C)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	106.3830	0.000	1	106.3830	0.000	1	106.3830	0.000	1	107.4751	7.676	8	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]I)(O)	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]O)(I)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]I)(O){1|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]O)(I){2|C<4>,3|C<3>}	105.6675	0.876	2	105.6675	0.768	2	105.6675	0.768	2	107.4751	7.676	8	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	106.9520	0.000	1	106.9520	0.000	1	107.0168	0.537	4	107.4751	7.676	8	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	107.5120	0.000	1	107.5120	0.000	1	107.0168	0.537	4	107.4751	7.676	8	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<2>,1|S<3>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>}	107.5980	0.000	1	107.5980	0.000	1	107.0168	0.537	4	107.4751	7.676	8	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O)	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(O){1|O<2>,2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O){4|H<1>}	C[5](C[5]C[5,5]H)(C[5]N[5,5]O)(H){1|H<1>,2|C<4>}	106.0050	0.000	1	106.0050	0.000	1	107.0168	0.537	4	107.4751	7.676	8	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	3:3:3:	N[5,5]-3:C[5]-3:O-1:	C[3x5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-3:C-3:	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]C)(O)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H)	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]C)(O){2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	105.5925	0.852	2	105.5925	0.726	2	105.5925	0.726	2	105.5925	0.726	2	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:1:	4:4:3:	4:3:3:	N[5,5]-3:C[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O)	N[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]HH)(C[5]C[5]O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(O){3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]HH)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H){1|C<4>,2|C<3>}	106.6110	0.000	1	106.6110	0.000	1	106.6110	0.000	1	106.6110	0.000	1	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:3:	3:3:3:	4:3:3:	N[5,5]-3:C[5]-3:C-3:	N[5,5,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]C)(COO)	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]N[5,5]C)(COO)	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]C)(COO){1|C<3>,1|O<1>,3|C<4>}	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]N[5,5]C)(COO){2|C<4>,2|H<1>,3|C<3>}	111.3130	0.000	1	111.3130	0.000	1	111.3130	0.000	1	110.6510	0.876	2	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:3:	3:3:3:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C[6a])(COW)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O){4|H<1>,5|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C[6a])(COW){1|C<4>,5|C<3>}	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	110.6510	0.876	2	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:2:1:	N[5,5]-3:C[5]-3:C-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHH)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]N[5,5]C)(O[5]C[5,5])(O)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHH){1|O<1>,1|O<2>,2|C<4>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]N[5,5]C)(O[5]C[5,5])(O){1|C<3>,2|C<4>}	105.2150	0.000	1	105.2150	0.000	1	105.2150	0.000	1	105.2150	0.000	1	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,5]-3:C[5]-3:C-3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	N[5,5]-3:C[5]-3:O-1:	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]C)(O)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]C)(O){2|C<3>,2|C<4>,2|H<1>}	107.5780	0.670	2	107.5780	0.449	2	107.5780	0.449	2	108.6093	3.416	3	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[5]C[5,6a]O)	C[5](C[5]N[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[5]C[5,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]N[5,5]C[6a])(C[5]C[5,5]O)(H){1|O<2>,4|C<3>}	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	108.6093	3.416	3	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:3:	4:4:3:	4:3:1:	N[5,5]-3:C[5]-3:C-3:	C[5,5]-4:S[5]-4:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]O)(CC[6a]H)	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]C)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]C)(O)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]C)(O){1|S<4>,2|C<3>}	105.5010	0.000	1	105.5010	0.000	1	105.5010	0.000	1	105.5010	0.000	1	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:4:	4:3:3:	4:3:3:	N[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]C[5,5]N[5])(C[5]C[5]C)(CH3)	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5]C)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]C)(COO)	C[5](N[5,5]C[5,5]N[5])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5]C){1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]C)(COO){1|C<3>,1|C<4>,1|N<3>}	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5]	3:3:4:	4:4:3:	3:2:4:	N[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:S[5]-2:C-4:	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]C)(CH3)	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)(C[5]C[5]C)	C[5](C[5]N[5,5]C)(S[5]C[5,5])(CCHH)	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)(C[5]C[5]C){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	C[5](C[5]N[5,5]C)(S[5]C[5,5])(CCHH){1|H<1>,2|C<4>}	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	108.9254	9.339	30	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6,6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]H)(H)	N[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)	C[5](C[5]C[5,6,6]O)(C[5]N[5,6,6]H)(H)	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H){1|Cl<1>,1|C<2>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6,6]O)(C[5]N[5,6,6]H)(H){3|C<4>}	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[4,5,6,6]-4:C[6,6a]-3:C[5]-3:	N[4,5]-3:C[5]-3:O-1:	C[5](N[5,6]C[4,5,6,6]C[6,6a])(C[5]N[4,5]O)(O)	N[5,6](C[4,5,6,6]C[4,6]C[6,6]N[4,5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[4,5]C[4,5,6,6]C[4])(C[5]N[5,6]O)(O)	C[5](N[5,6]C[4,5,6,6]C[6,6a])(C[5]N[4,5]O)(O){2|C<3>,3|C<4>}	N[5,6](C[4,5,6,6]C[4,6]C[6,6]N[4,5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](N[4,5]C[4,5,6,6]C[4])(C[5]N[5,6]O)(O){1|H<1>,2|C<3>,2|C<4>}	106.2020	0.000	1	106.2020	0.000	1	106.2020	0.000	1	106.2020	0.000	1	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]H)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H){1|N<3>,2|C<3>,2|C<4>}	107.8245	0.657	2	107.9843	0.292	3	107.9843	0.292	3	107.4802	1.211	4	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]H)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H){1|N<3>,2|C<3>,2|C<4>}	108.3040	0.000	1	107.9843	0.292	3	107.9843	0.292	3	107.4802	1.211	4	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	3:3:1:	N[5,6]-3:C[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:Br-1:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O){2|H<1>,4|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){1|Br<1>,1|H<1>,5|C<3>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br){1|C<4>,4|C<3>}	105.9680	0.000	1	105.9680	0.000	1	105.9680	0.000	1	107.4802	1.211	4	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6,6]-4:S[6]-4:C[5]-3:	C[5,6,6]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,6,6]S[6])(C[5]C[5,6,6]H)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6,6]S[6])(C[5]C[5,6,6]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]H)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	111.4920	0.000	1	111.4920	0.000	1	111.4920	0.000	1	111.8345	0.235	2	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	4:3:1:	N[5,6]-3:C[5]-3:H-1:	C[5,6]-4:S[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(H)	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5,6]H)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5,6]H)(H){1|S<4>,2|C<3>,2|H<1>}	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	111.8345	0.235	2	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	4:3:3:	N[5,6]-3:C[5]-3:H-1:	C[4,5,6]-4:C[6]-4:C[5]-3:	C[4,5]-4:C[5]-3:C-3:	C[5](N[5,6]C[4,5,6]C[6])(C[5]C[4,5]C)(H)	N[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]H)(CCO)	C[5](N[5,6]C[4,5,6]C[6])(C[5]C[4,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	113.4720	0.343	2	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:1:	4:4:3:	4:3:3:	N[5,6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]H)(COO)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(H){3|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]H)(COO){3|C<4>,3|H<1>}	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	113.4720	0.343	2	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:3:	4:3:2:	4:3:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:N[6]-2:	C[5]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5])(N[6]C[6])	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a])(H)	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5])(N[6]C[6]){3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a])(H){1|C<4>,1|N<2>,5|C<3>}	110.9780	0.000	1	110.9780	0.000	1	110.9780	0.000	1	110.9780	0.000	1	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H){1|C<4>,4|C<3>}	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,1|O<2>,6|C<3>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	111.6360	0.000	1	111.6360	0.000	1	111.6360	0.000	1	111.6360	0.000	1	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:3:	4:4:3:	3:2:1:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H)	N[5,6](C[5,6]C[6,6a]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]N[5,6]C)(O[5]C[5,6])(O)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6,6a]O[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>}	107.6950	0.000	1	107.6950	0.000	1	107.6950	0.000	1	107.6950	0.000	1	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:3:	4:4:3:	3:3:3:	N[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(COO)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(COO){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	114.9230	0.000	1	114.9230	0.000	1	114.9230	0.000	1	114.9230	0.000	1	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5]	3:3:4:	4:4:3:	4:3:1:	N[5,6]-3:C[5]-3:C-4:	C[5,6]-4:S[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(CHHO)	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]C)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]C)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]H)(CHHO){2|C<3>,2|O<1>,3|H<1>}	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]C)(H){1|S<4>,2|C<3>,2|H<1>}	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	110.3283	7.979	15	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6]	3:3:1:	3:3:2:	3:4:3:	C[5,6]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]O)(O)	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(OC)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]O)(O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(OC){1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,2|C<4>,2|O<2>}	105.9895	0.641	2	105.9895	0.411	2	105.9895	0.411	2	105.9895	0.411	2	105.9858	14.906	5	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:P[5]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H)	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]N)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]N){2|C<4>,4|C<3>}	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	112.2470	0.000	1	112.2470	0.000	1	112.2470	0.000	1	112.2470	0.000	1	105.9858	14.906	5	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]O)(CHH)	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(OC)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6])	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]O)(CHH){1|O<1>,2|C<4>}	N[5](C[5]C[5,6]C)(C[5]C[5,6]O)(OC){1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	102.8515	0.600	2	102.8515	0.360	2	102.8515	0.360	2	102.8515	0.360	2	105.9858	14.906	5	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]N[5]O)2(CHN)	C[5](C[5]C[5]C)(N[5]N[5]H)(O){1|C<3>,1|O<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|O<1>,3|C<3>}	C[5](C[5]N[5]O)2(CHN){1|C<3>,1|H<1>}	107.7520	0.000	1	107.7520	0.000	1	107.2220	0.562	2	107.2220	0.562	2	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:1:	3:3:3:	C[5]-3:N[5]-3:O-1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]H)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]N[5]O)2(CN[6]H)	C[5](C[5]C[5]C)(N[5]N[5]H)(O){1|C<3>,1|O<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|O<1>,3|C<3>}	C[5](C[5]N[5]O)2(CN[6]H){1|C<3>,1|H<1>}	106.6920	0.000	1	106.6920	0.000	1	107.2220	0.562	2	107.2220	0.562	2	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	108.7041	0.329	7	108.7041	0.108	7	108.7041	0.108	7	108.7407	8.086	15	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]N[6])(C[5]N[5]Ru)(C[5]C[5]H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	N[5](C[6]C[6]N[6])(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	106.6160	0.308	3	106.6160	0.095	3	106.6160	0.095	3	108.7407	8.086	15	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(H){4|C<3>}	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	108.7407	8.086	15	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:P[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]H)(H){1|O<2>,3|C<3>}	112.3000	0.000	1	112.3000	0.000	1	112.3000	0.000	1	108.7407	8.086	15	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[6a]-3:Ga[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](C[6a]C[6a]2)(Ga[5]N[5]Sn)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Sn<3>,3|C<3>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Sn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|Sn<3>,3|C<3>}	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1	108.7407	8.086	15	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:O-1:	C[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){4|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(O){4|C<3>}	106.3810	0.182	2	106.3810	0.033	2	106.3810	0.033	2	108.7407	8.086	15	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:2:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]2)(C[5]N[5]O)(NC[6a])	C[5](N[5]C[6a]C[5])(C[5]C[5]N)(O){1|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]2)(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	105.2410	0.000	1	105.2410	0.000	1	105.2410	0.000	1	105.2410	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:O-1:	N[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]C)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHO)	C[5](C[5]N[5]O)2(CHN)	C[5](C[5]C[5]C)(N[5]N[5]C)(O){1|C<3>,1|O<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHO){1|O<1>,3|C<3>}	C[5](C[5]N[5]O)2(CHN){2|C<3>}	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	106.4720	1.855	2	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]N[5]O)2(CHN)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]N[5]O)2(CHN){2|C<3>}	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	106.4720	1.855	2	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(COO)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(COO)	C[5](C[5]C[5]C)(N[5]N[5]C)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5]H)(N[5]C[5]C)(COO){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(COO){4|C<3>}	111.1510	0.378	3	111.1510	0.143	3	111.1510	0.143	3	111.1510	0.143	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>}	106.9540	0.000	1	106.9540	0.000	1	107.4507	1.086	3	109.6262	8.315	12	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){2|H<1>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){2|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]H)(H){1|C<4>,1|H<1>}	106.7500	0.000	1	106.7500	0.000	1	107.4507	1.086	3	109.6262	8.315	12	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]H)(C[5]N[5]N)(CC3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<2>}	108.6480	0.000	1	108.6480	0.000	1	107.4507	1.086	3	109.6262	8.315	12	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ru<6>,1|C<3>}	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	107.8597	0.261	3	107.8597	0.068	3	107.8597	0.068	3	109.6262	8.315	12	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](C[5]C[5]H)(N[5]C[5]W)(BN[5]2H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|H<1>,1|W<7>}	N[5](C[5]C[5]H)(N[5]C[5]W)(BN[5]2H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|B<4>,1|W<7>}	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	109.6262	8.315	12	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<6>,1|C<3>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|B<4>,2|C<3>}	109.7940	0.464	2	110.0457	0.298	3	110.0457	0.298	3	109.6262	8.315	12	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]2H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Ir<7>,1|C<3>}	N[5](N[5]C[5]Ir)(C[5]C[5]H)(BN[5]2H){1|C<3>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<7>,1|B<4>,2|C<3>}	110.5490	0.000	1	110.0457	0.298	3	110.0457	0.298	3	109.6262	8.315	12	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	P[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	N[5](P[5]N[5]P[5])(C[5]C[5]H)(CC3)	C[5](C[5]N[5]H)(N[5]P[5]C)(H)	C[5](C[5]N[5]H)(N[5]P[5]C)(H){1|C<4>,1|P<3>}	N[5](P[5]N[5]P[5])(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,2|N<3>}	C[5](C[5]N[5]H)(N[5]P[5]C)(H){1|C<4>,1|P<3>}	115.2795	0.081	2	115.2795	0.007	2	115.2795	0.007	2	109.6262	8.315	12	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:S-4:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[5]P)(N[5]C[5]S)(O)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]C)(C[5]N[5]O)(PC[6a]3)	C[5](C[5]C[5]P)(N[5]C[5]S)(O){2|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(SC[6a]OO){1|P<4>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(PC[6a]3){1|C<3>,1|S<4>}	104.9710	0.000	1	104.9710	0.000	1	104.9710	0.000	1	104.9710	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:1:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(O){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:2:	3:3:1:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]O)(O)	N[5](C[5]C[5]CO)(C[5]C[5]O)(OC)	C[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[5]H)(N[5]C[5]O)(O){1|C<4>,2|O<2>}	N[5](C[5]C[5]CO)(C[5]C[5]O)(OC){1|H<1>,1|O<2>}	C[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|O<2>}	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	B-4:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(H)	N[5](BC[6a]2N[5])(N[5]C[5]Cu)(C[5]C[5]H)	C[5](C[5]N[5]H)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(H){1|Cu<4>,1|H<1>}	N[5](BC[6a]2N[5])(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>}	C[5](C[5]N[5]H)2(H){1|Cu<4>,1|B<4>}	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	115.7459	18.245	8	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5]Ge)(C[5]C[5]H)(CC[6a]N)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ge<2>,2|C<3>}	N[5](C[5]C[6a]N[5]Ge)(C[5]C[5]H)(CC[6a]N){1|H<1>,3|C<3>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H){1|Ge<2>,2|C<3>}	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	115.7459	18.245	8	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H)	N[5](Ga[5,5]N[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H)	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H){2|N<3>,3|C<3>}	N[5](Ga[5,5]N[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,7|C<3>}	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H){2|N<3>,3|C<3>}	118.9950	0.164	2	118.9950	0.027	2	118.7647	0.173	3	115.7459	18.245	8	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H)	N[5](Ga[5,5]N[5]P[5]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H)	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H){2|P<3>,3|C<3>}	N[5](Ga[5,5]N[5]P[5]2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|P<3>,5|C<3>}	C[5](N[5]Ga[5,5]C[6a])(C[5]N[5]H)(H){2|P<3>,3|C<3>}	118.3040	0.000	1	118.3040	0.000	1	118.7647	0.173	3	115.7459	18.245	8	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Ga[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	N[5](Ga[5]N[5]N[6]P)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|N<3>,1|P<3>,3|C<3>}	N[5](Ga[5]N[5]N[6]P)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,3|C<4>,4|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]H)(H){1|N<3>,1|P<3>,3|C<3>}	118.3120	0.103	2	118.3120	0.011	2	118.3120	0.011	2	115.7459	18.245	8	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:H-1:	Si[4,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](N[5]Si[4,5]C[6a])(C[5]N[5]H)(H)	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](N[5]Si[4,5]C[6a])(C[5]N[5]H)(H)	C[5](N[5]Si[4,5]C[6a])(C[5]N[5]H)(H){1|N<3>,1|O<2>,3|C<3>}	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	C[5](N[5]Si[4,5]C[6a])(C[5]N[5]H)(H){1|N<3>,1|O<2>,3|C<3>}	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	115.7459	18.245	8	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CC[6a]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	111.9660	0.000	1	111.9660	0.000	1	111.6790	0.165	2	111.9910	0.186	4	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	C[5]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H)	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H)	C[5](C[5]N[5,6]H)(N[5]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|N<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	111.3920	0.000	1	111.3920	0.000	1	111.6790	0.165	2	111.9910	0.186	4	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:1:	N[5]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-4:	N[5,5]-3:C[5]-3:H-1:	C[5](N[5]C[5,5,6]C)(C[5]N[5,5]H)(H)	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CH3)	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5]H)(H)	C[5](N[5]C[5,5,6]C)(C[5]N[5,5]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CH3){2|H<1>,2|N<3>,3|C<3>}	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5]H)(H){1|N<3>,2|C<3>,2|C<4>}	112.3030	0.059	2	112.3030	0.004	2	112.3030	0.004	2	111.9910	0.186	4	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,3|H<1>}	106.2530	0.000	1	106.2530	0.000	1	106.2530	0.000	1	106.2530	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:S-4:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]H)(H)	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]H)(H){1|S<4>,2|H<1>,3|C<3>}	112.6270	0.000	1	112.6270	0.000	1	112.6270	0.000	1	112.1047	0.212	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[5]CH)(C[5]C[5]H)(SCOO)	C[5](C[5]C[5]CH)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]H)(SCOO){1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]H)(H){1|C<3>,1|H<1>,1|S<4>}	111.7600	0.000	1	111.7600	0.000	1	111.7600	0.000	1	112.1047	0.212	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:I-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:I-1:	C[5](C[5]C[5]I)(N[5]C[5]S)(I)	N[5](C[5]C[5]CH)(C[5]C[5]I)(SC[6a]OO)	C[5](C[5]C[5]HH)(C[5]N[5]I)(I)	C[5](C[5]C[5]I)(N[5]C[5]S)(I){1|C<4>,3|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]I)(SC[6a]OO){1|I<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]I)(I){1|C<4>,1|H<1>,1|S<4>}	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	112.1047	0.212	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5,6]N[5])(N[5]C[5,6]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(SCOO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2)	C[5](C[5]C[5,6]N[5])(N[5]C[5,6]S)(H){2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(SCOO){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2){1|S<4>,2|H<1>,2|O<1>,4|C<3>}	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	110.0153	8.425	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO)	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCO)	C[5](C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCO){1|S<4>,2|H<1>}	111.9850	0.000	1	111.9850	0.000	1	111.9850	0.000	1	110.0153	8.425	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(O)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH)	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(O){1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	110.0153	8.425	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:3:4:	4:3:4:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO)	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(SC[6a]OO){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH){1|S<4>,2|H<1>}	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:1:	4:4:3:	4:3:1:	N[5]-3:C[5]-3:H-1:	Ga[4,5]-4:C[6]-4:C[5]-3:	N[4,5]-4:C[5]-3:H-1:	C[5](N[5]Ga[4,5]C[6])(C[5]N[4,5]H)(H)	N[5](Ga[4,5]N[4,5]2Cl)(C[6]C[6]2H)(C[5]C[5]H)	C[5](N[4,5]Ga[4,5]2C[6])(C[5]N[5]H)(H)	C[5](N[5]Ga[4,5]C[6])(C[5]N[4,5]H)(H){1|Cl<1>,1|Ga<4>,1|H<1>,1|N<4>,3|C<4>}	N[5](Ga[4,5]N[4,5]2Cl)(C[6]C[6]2H)(C[5]C[5]H){1|Ga<4>,1|C<3>,4|C<4>,5|H<1>}	C[5](N[4,5]Ga[4,5]2C[6])(C[5]N[5]H)(H){2|Cl<1>,1|H<1>,1|N<3>,1|N<4>,3|C<4>}	121.7220	0.000	1	121.7220	0.000	1	121.7220	0.000	1	121.7220	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:2:	3:3:3:	3:3:3:	N[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(ONi)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](C[5]N[5]C)(C[5]N[5]O)(NNiC)	C[5](N[5]C[6a]N[5])(C[5]C[5]N)(ONi){2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NNiC){1|C<3>,1|C<4>}	107.9170	0.000	1	107.9170	0.000	1	107.9170	0.000	1	107.9170	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:2:	4:3:3:	4:3:3:	N[5]-3:C[5]-3:S-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:N-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]N)(SC)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]S)(NOO)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]N)(SC){2|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]S)(NOO){1|O<1>,1|O<2>,3|C<3>}	110.3390	0.000	1	110.3390	0.000	1	110.3390	0.000	1	110.3390	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	107.3880	0.000	1	107.3880	0.000	1	107.3880	0.000	1	108.9007	2.126	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]N[5]N)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHH){1|H<1>,1|N<3>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]N)2(H){2|H<1>}	109.0170	0.000	1	109.0170	0.000	1	109.6570	0.819	2	108.9007	2.126	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:N-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(NHN)	N[5](C[5]C[5]N)(N[5]C[5]H)(H)	C[5](C[5]N[5]N)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(NHN){1|H<1>,1|N<3>}	N[5](C[5]C[5]N)(N[5]C[5]H)(H){1|H<1>,1|N<3>}	C[5](C[5]N[5]N)2(H){2|H<1>}	110.2970	0.000	1	110.2970	0.000	1	109.6570	0.819	2	108.9007	2.126	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	107.9300	0.602	2	107.9300	0.363	2	107.9300	0.363	2	109.7238	13.921	5	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-3:	P[5,6]-3:C[6a]-3:C[5]-3:	P[5,6]-3:C[5]-3:O-1:	C[5](N[5]P[5,6]C[6a])(C[5]P[5,6]O)(CHN)	N[5](P[5,6]P[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](P[5,6]P[5,6]C[6])(C[5]N[5]C)(O)	C[5](N[5]P[5,6]C[6a])(C[5]P[5,6]O)(CHN){2|C<3>,2|C<4>}	N[5](P[5,6]P[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](P[5,6]P[5,6]C[6])(C[5]N[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	116.3660	0.000	1	116.3660	0.000	1	116.3660	0.000	1	109.7238	13.921	5	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5]){1|O<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	108.1965	0.316	2	108.1965	0.100	2	108.1965	0.100	2	109.7238	13.921	5	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:3:	4:3:3:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(COO)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]N)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]2)(COO){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]N)(C[5]N[5]C){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|C<4>,2|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	108.4520	0.000	1	108.4980	1.587	3	108.4980	1.587	3	109.0853	9.177	6	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|H<1>,2|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	109.7800	0.000	1	108.4980	1.587	3	108.4980	1.587	3	109.0853	9.177	6	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|O<2>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	107.2620	0.000	1	108.4980	1.587	3	108.4980	1.587	3	109.0853	9.177	6	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CC[6a]H){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|H<1>,1|S<4>,2|C<3>}	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	109.0853	9.177	6	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<9>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]Ru)(CCHH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<9>,1|C<4>,1|N<3>,3|C<3>}	105.9130	0.000	1	105.9130	0.000	1	105.9130	0.000	1	109.0853	9.177	6	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	B[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]CH)	C[5](B[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H){3|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]CH){1|H<1>,2|C<4>,5|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|H<1>,6|C<3>}	114.6700	0.000	1	114.6700	0.000	1	114.6700	0.000	1	109.0853	9.177	6	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:S-4:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[6a]N[5])(C[5]C[5]P)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(SC[6a]OO){1|P<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]P)(CCH){1|O<1>,1|S<4>,2|C<3>}	107.6670	0.000	1	107.6670	0.000	1	107.6670	0.000	1	118.9507	95.886	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-4:	N[5]-3:N[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])2(C[5]N[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2){2|C<4>,4|H<1>,6|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH){2|N<3>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2(C[5]N[5]2){2|C<4>,4|H<1>,6|C<3>}	124.5925	0.889	2	124.5925	0.790	2	124.5925	0.790	2	118.9507	95.886	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:S-4:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S){3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C)(SC[6a]OO){1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(COO){1|S<4>,5|C<3>}	110.8770	0.000	1	110.8770	0.000	1	110.8770	0.000	1	110.8770	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(H){1|O<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	112.6460	0.544	3	112.6460	0.296	3	112.6460	0.296	3	112.6460	0.296	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:4:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:S-4:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H){1|S<4>,2|C<3>,2|H<1>}	111.4360	0.000	1	111.4360	0.000	1	111.4360	0.000	1	110.6020	1.391	2	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	3:4:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:S-4:	C[5]-3:C[5]-4:I-1:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(I)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S){1|N<2>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO){1|I<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(I){1|S<4>,2|C<3>,2|H<1>}	109.7680	0.000	1	109.7680	0.000	1	109.7680	0.000	1	110.6020	1.391	2	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:S-4:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S){4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H){1|H<1>,1|S<4>,5|C<3>}	110.8875	0.040	2	110.8875	0.002	2	110.8875	0.002	2	110.8875	0.002	2	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	3:4:4:	4:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:S-4:	C[5]-4:C[5]-3:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]S)	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(NN)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]S){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(NN){1|S<4>,2|H<1>,4|C<3>}	110.3030	0.000	1	110.3030	0.000	1	110.3030	0.000	1	110.3030	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:N-3:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC)	N[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[5]Si[5]N)(C[5]N[5]N)(H)	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC){1|N<2>,2|C<3>,2|N<3>}	N[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]N){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]Si[5]N)(C[5]N[5]N)(H){1|C<3>,1|N<2>,1|N<3>}	116.8980	0.000	1	116.8980	0.000	1	116.4330	0.432	2	116.4330	0.432	2	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[5]-3:N-3:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC)	N[5](Si[5]C[5]NP)(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[5]Si[5]N)(C[5]N[5]N)(H)	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC){1|N<2>,1|N<3>,1|P<3>,2|C<3>}	N[5](Si[5]C[5]NP)(C[6a]C[6a]2)(C[5]C[5]N){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]Si[5]N)(C[5]N[5]N)(H){1|C<3>,1|N<2>,1|P<3>}	115.9680	0.000	1	115.9680	0.000	1	116.4330	0.432	2	116.4330	0.432	2	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CC[6a]O)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CC[6a]O){1|C<2>,1|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C){3|H<1>,4|C<3>}	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:S-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]S)(CC[6a]H)	N[5](C[5]C[5]CH)(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(CCC)	C[5](C[5]C[5]C)(N[5]C[5]S)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]C)(SC[6a]OO){2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(CCC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	106.8990	0.000	1	106.8990	0.000	1	106.8990	0.000	1	109.6545	15.186	2	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[5]-3:C-3:	Ge[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-3:	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cd<4>,2|C<4>}	N[5](Ge[5]N[5]CdC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>}	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cd<4>,2|C<4>}	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	109.6545	15.186	2	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	3:4:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:S-4:	C[5]-3:C[5]-4:S-2:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC[6a]OO)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SC[6a])	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S){3|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC[6a]OO){1|S<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SC[6a]){1|H<1>,1|S<4>,3|C<3>}	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(CHN)	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]HH)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CHN){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC3){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(O){1|C<4>,2|H<1>}	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	4:3:2:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]C[5]S)(CC[6a]2)	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[5]HH)(C[5]N[5]C)(NO)	C[5](C[5]C[5]N)(N[5]C[5]S)(CC[6a]2){4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO){1|N<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(NO){1|S<4>,2|H<1>}	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:3:	4:3:4:	4:3:3:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCCH)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(COO){1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCCH){5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(COO){1|C<4>,1|H<1>,3|C<3>}	113.5230	0.000	1	113.5230	0.000	1	113.5230	0.000	1	113.5230	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3)	N[5](C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]C)(C[5]N[5]H)(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CH3){2|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]H)(H){2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]H)(H){2|H<1>}	106.5440	0.000	2	106.5440	0.000	2	106.5440	0.000	2	106.2780	0.212	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	3:3:1:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH)	N[5](N[5]C[5]Cr)(C[5]C[5]C)(H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]H)(CCCH){1|Cr<5>,1|C<4>}	N[5](N[5]C[5]Cr)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Cr<5>,1|H<1>}	105.7460	0.000	1	105.7460	0.000	1	105.7460	0.000	1	106.2780	0.212	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C-4:	P[5,5]-3:C[6a]-3:C[5]-3:	P[5,5]-3:C[5]-3:H-1:	C[5](N[5]P[5,5]C[6a])(C[5]P[5,5]H)(CC3)	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](P[5,5]P[5,5]C[5])(C[5]N[5]C)(H)	C[5](N[5]P[5,5]C[6a])(C[5]P[5,5]H)(CC3){1|N<3>,3|C<3>}	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<4>,5|C<3>}	C[5](P[5,5]P[5,5]C[5])(C[5]N[5]C)(H){1|H<1>,1|N<3>,2|C<3>}	115.1520	0.000	1	115.1520	0.000	1	115.1520	0.000	1	115.1520	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C-4:	Ga[5]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	N[5](Ga[5]Ga[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|Ga<3>,3|C<3>}	N[5](Ga[5]Ga[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3){1|Ga<3>,3|C<3>}	116.5390	0.000	1	116.5390	0.000	1	116.5390	0.000	1	116.5390	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH)	N[5](C[5]C[5]C)(N[5]C[5]C)(COO)	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(N[5]C[5]C)(COO){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH){2|C<3>}	109.9710	0.000	1	109.9710	0.000	1	109.9710	0.000	1	109.9710	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:2:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[5]-2:C-4:	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3)	C[5](C[5]N[5]C)(S[5]C[5])(CH3)	C[5](C[5]S[5]C)(N[5]C[5]C)(CH3){1|C<3>}	N[5](C[5]C[5]C)(C[5]S[5]C)(CH3){1|C<4>}	C[5](C[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|C<4>}	114.8060	0.000	1	114.8060	0.000	1	114.8060	0.000	1	114.8060	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:1:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:B-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3)	N[5](N[5]C[5]Rh)(C[5]C[5]C)(BN[5]2H)	C[5](C[5]N[5]C)2(H)	C[5](C[5]C[5]H)(N[5]N[5]B)(CH3){1|Rh<6>,1|C<4>}	N[5](N[5]C[5]Rh)(C[5]C[5]C)(BN[5]2H){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)2(H){1|Rh<6>,1|B<4>}	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:3:	C[5]-3:N[5]-3:C-4:	N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3)	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(NNiC)	C[5](C[5]C[5]N)(N[5]N[5]C)(CH3){1|C<3>,1|O<2>}	N[5](N[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|N<3>,1|O<2>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NNiC){1|C<3>,1|C<4>}	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	N[5](C[5]C[5]C)(C[5]N[5]N)(CCCH){2|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<4>,1|N<3>}	107.7640	0.000	1	107.7640	0.000	1	108.7090	1.044	3	108.7090	1.044	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	3:3:4:	3:3:4:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|N<3>,3|C<4>}	C[5](C[5]N[5]C)(N[5]C[5]C)(CH3){1|C<3>,1|C<4>}	109.1815	0.865	2	109.1815	0.748	2	108.7090	1.044	3	108.7090	1.044	3	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	4:3:4:	2:3:1:	N[5]-3:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	S[5]-2:C[5]-3:H-1:	C[5](N[5]C[5,5]C)(C[5]S[5]H)(CH3)	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH)	C[5](S[5]C[5,5])(C[5]N[5]C)(H)	C[5](N[5]C[5,5]C)(C[5]S[5]H)(CH3){1|C<3>,1|C<4>}	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](S[5]C[5,5])(C[5]N[5]C)(H){1|C<3>,2|C<4>}	115.5540	0.000	1	115.5540	0.000	1	115.5540	0.000	1	115.5540	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	4:3:4:	4:3:1:	C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:S-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(CHHO)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CHHO){1|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(SC[6a]OO){2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	111.1700	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	5:SP2_SP2_SP3	C[5]	N[5]	C[5]	3:3:4:	4:3:4:	4:3:2:	C[5]-3:N[5]-3:C-4:	C[5,6]-4:C[5]-3:S-4:	C[5,6]-4:C[5]-3:S-2:	C[5](C[5]C[5,6]S)(N[5]C[5,6]S)(CH3)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(SC)	C[5](C[5]C[5,6]S)(N[5]C[5,6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(SC){1|S<4>,2|H<1>,3|C<3>}	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	110.6928	16.209	112	110.3946	15.107	180
818	542	818	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:2:	3:4:3:	3:3:3:	N[5,6]-3:C[5,6]-3:N[5]-2:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]N[5])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6]C[5,6]C[6a])	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){1|C<4>,1|H<1>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]N[5]){1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,7|C<3>}	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	118.5341	3.280	18	118.5341	3.280	18
818	542	818	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[5,6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:N[5,6]-3:	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	118.9240	0.235	2	118.9240	0.055	2	118.4767	0.287	4	119.6168	3.291	6	118.5341	3.280	18	118.5341	3.280	18
818	542	818	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[5,6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:N[5,6]-3:	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO)	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	118.0295	0.069	2	118.0295	0.005	2	118.4767	0.287	4	119.6168	3.291	6	118.5341	3.280	18	118.5341	3.280	18
818	542	818	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	N[5,6]-3:C[5,6]-3:N[5]-3:	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	121.8970	0.000	2	121.8970	0.000	2	121.8970	0.000	2	119.6168	3.291	6	118.5341	3.280	18	118.5341	3.280	18
818	542	818	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:N[5,6]-3:N[5]-3:	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Cu)	N[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Cu)	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Cu){1|Cu<3>,1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|Cu<3>,2|N<3>,3|H<1>}	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Cu){1|Cu<3>,1|C<4>,2|C<3>,4|H<1>}	118.2875	0.356	8	118.2875	0.126	8	118.2875	0.126	8	118.2875	0.126	8	118.5341	3.280	18	118.5341	3.280	18
818	542	818	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:4:4:	3:3:3:	C[5,6]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6]-3:N[5,6]-3:N[5]-3:	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Fe)	N[5,6](C[5,6]C[5,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Fe)	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Fe){3|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|Fe<6>,2|N<3>,4|H<1>}	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Fe){3|C<4>,6|H<1>}	119.5515	0.052	2	119.5515	0.003	2	119.5515	0.003	2	119.5515	0.003	2	118.5341	3.280	18	118.5341	3.280	18
818	542	818	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6]	3:3:3:	6:3:3:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	Si[5]-6:C[5,6]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>,4|N<2>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	118.5341	3.280	18	118.5341	3.280	18
818	542	818	6:SP2_SP2_SP3	C[5,6]	N[5,6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	N[5,6]-3:C[5,6]-3:N[5]-3:	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	122.0250	0.128	6	122.0250	0.016	6	122.0250	0.016	6	122.0250	0.016	6	121.7370	0.329	8	121.7370	0.329	8
818	542	818	6:SP2_SP2_SP3	C[5,6]	N[5,6]	C[5,6]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	N[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O)	N[5,6](C[5,6]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O)	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){2|H<1>,2|N<3>,2|O<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	120.8730	0.482	2	120.8730	0.233	2	120.8730	0.233	2	120.8730	0.233	2	121.7370	0.329	8	121.7370	0.329	8