762	643	952	0:SP2_SP2_SP3	C[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:1:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:O-1:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SO3)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S)	S(C[6]C[6,6a]C[6])(O)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SO3){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S){1|O<1>,2|C<3>,2|H<1>}	S(C[6]C[6,6a]C[6])(O)3	121.2640	0.000	1	121.2640	0.000	1	121.2640	0.000	1	121.2640	0.000	1	121.8025	0.580	2	121.8025	0.580	2
762	643	952	0:SP2_SP2_SP3	C[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S)	S(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<3>,1|C<4>,3|H<1>}	S(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.3410	0.000	1	122.3410	0.000	1	122.3410	0.000	1	122.3410	0.000	1	121.8025	0.580	2	121.8025	0.580	2
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:2:3:	3:2:3:	3:1:1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(NHH)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]N){1|H<1>,3|C<3>}	N(C[6]C[6,6a]N[6])(H)2	120.2709	0.519	8	120.2709	0.269	8	120.2709	0.269	8	120.2709	0.269	8	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6,6a]N[6])(H)2	118.0570	0.000	1	118.0570	0.000	1	118.0570	0.000	1	118.0570	0.000	1	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,4|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	120.0160	0.000	1	120.0160	0.000	1	120.4413	0.470	11	120.1770	0.826	13	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	120.6441	0.523	9	120.6441	0.274	9	120.4413	0.470	11	120.1770	0.826	13	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(NC[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]N[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(NC[6a]H){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]N[6a])(H)	119.0410	0.000	1	119.0410	0.000	1	120.4413	0.470	11	120.1770	0.826	13	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(NHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,2|H<1>,2|N<3>}	N(C[6]C[6,6a]N[6])(NHH)(H)	118.7235	0.470	2	118.7235	0.221	2	118.7235	0.221	2	120.1770	0.826	13	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:2:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-3:C-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6,6])(NCC)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(CC[6a]O)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6,6])(NCC){1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[6,6a]N[6])(CC[6a]O)2	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NCH){1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	N(C[6]C[6,6a]N[6])(CCHH)(H)	121.7880	0.000	1	121.7880	0.000	1	121.7880	0.000	1	123.9890	9.689	2	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6,6a]-3:O[6]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	N(C[6]C[6,6a]O[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|I<1>,2|C<3>,2|H<1>}	N(C[6]C[6,6a]O[6])(CH3)(H)	126.1900	0.000	1	126.1900	0.000	1	126.1900	0.000	1	123.9890	9.689	2	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH){1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|O<1>,4|C<3>}	N(C[6]C[6,6a]C[6])(H)2	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	111.6400	0.000	1	111.6400	0.000	1	111.6400	0.000	1	111.6400	0.000	1	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:2:3:	3:4:4:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(NCC)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(CH3)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(NCC){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]N){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(CH3)2	124.5620	0.000	1	124.5620	0.000	1	124.5620	0.000	1	124.5620	0.000	1	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6,6]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]C[6,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6,6a]C[6,6])(H)2	118.4040	0.000	1	118.4040	0.000	1	118.4040	0.000	1	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]2)(H)2	121.1210	0.000	1	120.7580	0.404	61	120.7580	0.404	61	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]2)(H)2	121.1585	0.398	2	120.7580	0.404	61	120.7580	0.404	61	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N(C[6]C[6,6a]2)(H)2	120.7380	0.643	58	120.7580	0.404	61	120.7580	0.404	61	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6])(H)2	121.3995	0.350	2	121.4802	0.239	6	121.4802	0.239	6	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6])(H)2	121.2205	0.805	2	121.4802	0.239	6	121.4802	0.239	6	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6])(H)2	121.8205	0.207	2	121.4802	0.239	6	121.4802	0.239	6	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6])(O)2	122.5160	0.099	2	122.0403	0.684	3	122.0403	0.684	3	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6])(O)2	121.0890	0.000	1	122.0403	0.684	3	122.0403	0.684	3	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:N[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]N[6,6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N(C[6]C[6,6a]N[6,6a])(H)2	120.3160	0.000	1	120.3160	0.000	1	120.3160	0.000	1	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,4|H<1>}	N(C[6]C[6,6a]N[6])(H)2	123.4215	0.602	2	123.4215	0.362	2	123.5023	0.114	8	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){1|C<3>,1|O<1>,1|S<1>,2|N<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]N[6])(H)2	123.8430	0.000	2	123.8430	0.000	2	123.5023	0.114	8	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){1|N<2>,1|O<1>,3|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]N[6]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(H)2	123.6570	0.000	1	123.6570	0.000	1	123.5023	0.114	8	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	N(C[6]C[6,6a]N[6])(H)2	123.3750	0.000	1	123.2773	0.007	3	123.5023	0.114	8	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	N(C[6]C[6,6a]N[6])(H)2	123.2285	0.002	2	123.2773	0.007	3	123.5023	0.114	8	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	N[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:H-1:H-1:	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6a]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]N[6,6a])(H)2	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[6]C[6,6a]N[6,6a])(H)2	120.5870	0.000	1	120.5870	0.000	1	120.5870	0.000	1	121.0934	1.157	81	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:N-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]2)(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHN){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N(C[6]C[6,6a]2)(NC)(H)	120.5485	6.178	2	120.5485	38.168	2	120.5485	38.168	2	120.8944	4.187	12	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6])(NC)(H)	120.5130	0.364	4	120.3013	0.202	6	120.3013	0.202	6	120.8944	4.187	12	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6])(NC)(H)	119.8780	0.270	2	120.3013	0.202	6	120.3013	0.202	6	120.8944	4.187	12	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,4|H<1>}	N(C[6]C[6,6a]N[6])(NC)(H)	121.9263	0.036	3	121.9263	0.001	3	121.9570	0.005	4	120.8944	4.187	12	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(NH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N(C[6]C[6,6a]N[6])(NH)(H)	122.0490	0.000	1	122.0490	0.000	1	121.9570	0.005	4	120.8944	4.187	12	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	123.9160	0.000	1	123.9160	0.000	1	123.9160	0.000	1	120.1477	4.279	15	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]2)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N(C[6]C[6,6a]2)(CC[6a]O)(H)	119.6915	2.452	2	119.6915	6.010	2	119.6915	6.010	2	120.1477	4.279	15	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N(C[6]C[6,6a]C[6])(CCO)(H)	117.1685	0.153	2	117.1685	0.024	2	117.1685	0.024	2	120.1477	4.279	15	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){3|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	122.6590	0.000	1	122.6590	0.000	1	120.8413	1.638	4	120.1477	4.279	15	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	120.8180	0.000	1	120.2353	0.255	3	120.8413	1.638	4	120.1477	4.279	15	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	119.9440	0.021	2	120.2353	0.255	3	120.8413	1.638	4	120.1477	4.279	15	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6])(NCH)(H)	119.6950	0.000	1	119.6950	0.000	1	119.6950	0.000	1	120.1477	4.279	15	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Fe<6>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	120.1477	4.279	15	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	120.1310	0.897	2	120.1310	0.804	2	120.1310	0.804	2	120.1477	4.279	15	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(NHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N(C[6]C[6,6a]N[6])(NHH)(H)	121.8975	0.559	2	121.8975	0.313	2	121.8975	0.313	2	120.1477	4.279	15	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]2)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]2)(CCCH)(H)	118.0665	0.764	2	121.3655	15.346	4	121.1531	14.236	16	120.5829	10.623	25	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]2)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N(C[6]C[6,6a]2)(CCCH)(H)	124.6645	1.385	2	121.3655	15.346	4	121.1531	14.236	16	120.5829	10.623	25	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N(C[6]C[6,6a]2)(CCHH)(H)	121.0708	3.884	10	121.0708	15.086	10	121.1531	14.236	16	120.5829	10.623	25	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]2)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[6]C[6,6a]2)(CCCH)(H)	121.1400	5.610	2	121.1400	31.474	2	121.1531	14.236	16	120.5829	10.623	25	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6])(CCHH)(H)	120.8118	0.441	4	120.8118	0.195	4	120.8118	0.195	4	120.5829	10.623	25	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[3x6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(C[3x6]C[6,6]3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6])(C[3x6]C[6,6]3)(H)	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	120.5829	10.623	25	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	N(C[6]C[6,6a]N[6])(CC3)(H)	119.3890	0.000	1	119.1893	0.469	3	119.4045	0.498	4	120.5829	10.623	25	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	N(C[6]C[6,6a]N[6])(CC3)(H)	119.7520	0.000	1	119.1893	0.469	3	119.4045	0.498	4	120.5829	10.623	25	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	N(C[6]C[6,6a]N[6])(CC3)(H)	118.4270	0.000	1	119.1893	0.469	3	119.4045	0.498	4	120.5829	10.623	25	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	N(C[6]C[6,6a]N[6])(CH3)(H)	120.0500	0.000	1	120.0500	0.000	1	119.4045	0.498	4	120.5829	10.623	25	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	116.5210	0.000	1	116.5210	0.000	1	116.5210	0.000	1	116.5210	0.000	1	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(CCHH)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N(C[6]C[6,6a]C[6])(CCHH)2	117.2938	0.462	4	117.2938	0.213	4	117.4090	0.227	5	117.6349	0.402	7	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(CCHH)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N(C[6]C[6,6a]C[6])(CCHH)2	117.8700	0.000	1	117.8700	0.000	1	117.4090	0.227	5	117.6349	0.402	7	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]N)	N(C[6]C[6,6a]C[6])(CC[6a]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[6,6a]C[6])(CC[6a]HH)(SC[6a]OO)	118.1995	0.783	2	118.1995	0.613	2	118.1995	0.613	2	117.6349	0.402	7	120.5736	4.362	169	120.5736	4.362	169
762	643	956	0:SP2_SP2_SP3	C[6]	C[6,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(NNiC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN){1|Ni<6>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,2|H<1>,2|N<3>}	N(C[6]C[6,6a]N[6])(NNiC)(H)	117.1560	0.000	1	117.1560	0.000	1	117.1560	0.000	1	117.1560	0.000	1	118.4172	0.783	5	118.4172	0.783	5
762	643	956	0:SP2_SP2_SP3	C[6]	C[6,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(NH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,2|H<1>,2|N<3>}	N(C[6]C[6,6a]N[6])(NH3)(H)	119.5130	0.000	1	119.5130	0.000	1	119.5130	0.000	1	119.5130	0.000	1	118.4172	0.783	5	118.4172	0.783	5
762	643	956	0:SP2_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(NNiC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(NNiC)(H)	118.6890	0.000	1	118.7070	0.001	2	118.7070	0.001	2	118.7070	0.001	2	118.4172	0.783	5	118.4172	0.783	5
762	643	956	0:SP2_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(NNiC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(NNiC)(H)	118.7250	0.000	1	118.7070	0.001	2	118.7070	0.001	2	118.7070	0.001	2	118.4172	0.783	5	118.4172	0.783	5
762	643	956	0:SP2_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(NC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(NC[6a]2){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Pt<4>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	118.0030	0.000	1	118.0030	0.000	1	118.0030	0.000	1	118.0030	0.000	1	118.4172	0.783	5	118.4172	0.783	5
762	643	961	0:SP2_SP2_SP3	C[6]	C[6a]	S[6]	3:3:4:	3:3:2:	3:3:1:1:	C[6a]-3:C[6]-3:S[6]-4:	C[6]-3:C[6a]-3:N[6a]-2:	C[6]-3:N[6]-3:O-1:O-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(S[6]N[6]OO)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a])	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(S[6]N[6]OO){2|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2{1|H<1>,1|N<2>,3|C<3>}	119.2180	0.000	1	119.2180	0.000	1	119.2180	0.000	1	119.2180	0.000	1	118.9345	0.544	4	118.9345	0.544	4
762	643	961	0:SP2_SP2_SP3	C[6]	C[6a]	S[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6]-3:C[6a]-3:S[6]-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:O[6]-2:O-1:O-1:	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(S[6]O[6]OO)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	S[6](C[6]C[6a]C[6])(O[6]C[6,6])(O)2	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(S[6]O[6]OO){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6]C[6a]C[6])(O[6]C[6,6])(O)2{1|H<1>,4|C<3>}	119.1740	0.000	1	119.1740	0.000	1	119.1740	0.000	1	119.1740	0.000	1	118.9345	0.544	4	118.9345	0.544	4
762	643	961	0:SP2_SP2_SP3	C[6]	C[6a]	S[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6a]-3:S[6]-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:O-1:O-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]N[6]OO)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]N[6]OO){3|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|O<1>,3|H<1>}	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2{1|H<1>,4|C<3>}	117.8490	0.000	1	117.8490	0.000	1	117.8490	0.000	1	117.8490	0.000	1	118.9345	0.544	4	118.9345	0.544	4
762	643	961	0:SP2_SP2_SP3	C[6]	C[6a]	S[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6a]-3:S[6]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:O[6]-2:O-1:O-1:	C[6](C[6a]C[6a]2)(S[6]O[6]OO)(C[6]C[6]H)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	S[6](C[6]C[6a]C[6])(O[6]C[6])(O)2	C[6](C[6a]C[6a]2)(S[6]O[6]OO)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6]C[6a]C[6])(O[6]C[6])(O)2{1|H<1>,4|C<3>}	119.4970	0.000	1	119.4970	0.000	1	119.4970	0.000	1	119.4970	0.000	1	118.9345	0.544	4	118.9345	0.544	4
762	643	975	0:SP2_SP2_SP3	C[6]	C[6a]	Se[6]	2:3:3:	3:3:3:	3:3:	Se[6]-2:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6](Se[6]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]Se)	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]H)2	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6](Se[6]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]Se){2|H<1>,5|C<3>}	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]H)2{1|Se<2>,2|H<1>,3|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|Se<2>,1|H<1>,5|C<3>}	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	113.3910	4.379	7	113.3910	4.379	7
762	643	975	0:SP2_SP2_SP3	C[6]	C[6a]	Se[6]	3:2:2:	3:3:3:	4:3:	C[6a]-3:Se[6]-2:N[6]-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(Se[6]C[6])(N[6]C[6])	C[6a](C[6]Se[6]N[6])(C[6a]C[6a]H)2	Se[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(Se[6]C[6])(N[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]Se[6]N[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	Se[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	112.6140	1.051	2	112.6140	1.104	2	112.6140	1.104	2	112.6140	1.104	2	113.3910	4.379	7	113.3910	4.379	7
762	643	975	0:SP2_SP2_SP3	C[6]	C[6a]	Se[6]	3:3:2:	3:3:3:	3:2:	C[6]-3:C[6a]-3:Se[6]-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:Se[6]-2:	C[6](C[6]Se[6]Se)(C[6a]C[6a]2)(Se[6]Se[6])	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]C)2	Se[6](C[6]C[6a]C[6])(Se[6]C[6])	C[6](C[6]Se[6]Se)(C[6a]C[6a]2)(Se[6]Se[6]){2|C<4>,3|C<3>}	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]C)2{3|Se<2>,1|C<3>,2|H<1>}	Se[6](C[6]C[6a]C[6])(Se[6]C[6]){2|Se<2>,3|C<3>}	117.6400	0.000	1	117.6400	0.000	1	117.6400	0.000	1	117.6400	0.000	1	113.3910	4.379	7	113.3910	4.379	7
762	643	975	0:SP2_SP2_SP3	C[6]	C[6a]	Se[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:Se[6]-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6])	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]H)2	Se[6](C[6]C[6a]C[6])(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6]){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	Se[6](C[6]C[6a]C[6])(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	112.5210	0.000	1	112.5210	0.000	1	113.1340	1.005	3	113.1340	1.005	3	113.3910	4.379	7	113.3910	4.379	7
762	643	975	0:SP2_SP2_SP3	C[6]	C[6a]	Se[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:Se[6]-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6])	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]H)2	Se[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6]){2|H<1>,6|C<3>}	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	Se[6](C[6]C[6a]C[6])2{1|C<4>,2|H<1>,4|C<3>}	113.4405	1.203	2	113.4405	1.447	2	113.1340	1.005	3	113.1340	1.005	3	113.3910	4.379	7	113.3910	4.379	7
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S)	S(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S){2|C<3>,3|H<1>}	S(C[6]C[6,6a]O[6])	126.8347	0.290	6	126.7826	0.180	17	126.7826	0.180	17	126.7297	0.205	20	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S)	S(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S){2|C<3>,3|H<1>}	S(C[6]C[6,6a]O[6])	126.7542	0.494	11	126.7826	0.180	17	126.7826	0.180	17	126.7297	0.205	20	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:2:1:	3:3:3:	3:	C[6,6a]-3:S[6]-2:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]S)	S(C[6]C[6,6a]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,3|H<1>}	S(C[6]C[6,6a]S[6])	125.8210	0.000	1	125.8210	0.000	1	126.4300	0.349	3	126.7297	0.205	20	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:2:1:	3:3:3:	3:	C[6,6a]-3:S[6]-2:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S)	S(C[6]C[6,6a]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,2|H<1>}	S(C[6]C[6,6a]S[6])	126.4690	0.000	1	126.7345	0.141	2	126.4300	0.349	3	126.7297	0.205	20	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:2:1:	3:3:3:	3:	C[6,6a]-3:S[6]-2:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S)	S(C[6]C[6,6a]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,3|H<1>}	S(C[6]C[6,6a]S[6])	127.0000	0.000	1	126.7345	0.141	2	126.4300	0.349	3	126.7297	0.205	20	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:2:3:	3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S)	S(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S){2|C<3>,3|H<1>}	S(C[6]C[6,6a]N[6])	123.8650	0.000	1	123.8665	0.000	2	123.8665	0.000	2	123.8665	0.000	2	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:2:3:	3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S)	S(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,1|S<1>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S){2|C<3>,3|H<1>}	S(C[6]C[6,6a]N[6])	123.8680	0.000	1	123.8665	0.000	2	123.8665	0.000	2	123.8665	0.000	2	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:S-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(S)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]S)(C[6a]C[6a]H)	S(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(S){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	S(C[6]C[5a,6]C[6,6a])	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:S-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H)	S(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(S){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	S(C[6]C[6,6a]2)	122.5000	0.472	2	122.5000	0.223	2	122.5000	0.223	2	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S)	S(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(S){2|S<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S){1|H<1>,1|O<1>,4|C<3>}	S(C[6]C[6,6a]2)	119.4565	1.037	2	119.4565	1.076	2	120.6222	2.173	4	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]S)	S(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(S){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]S){1|N<3>,2|H<1>,3|C<3>}	S(C[6]C[6,6a]2)	121.7880	0.076	2	121.7880	0.006	2	120.6222	2.173	4	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	S(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<4>,1|H<1>,3|C<3>}	S(C[6]C[6,6a]C[6])	121.0895	1.613	2	121.0895	2.601	2	121.1030	0.877	4	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	S(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(S){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){3|C<3>,3|H<1>}	S(C[6]C[6,6a]C[6])	121.1165	0.169	2	121.1165	0.029	2	121.1030	0.877	4	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:S-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]S)(C[6a]C[6a]H)	S(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(S){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	S(C[6]C[6,6a]N[5,6])	124.9650	0.000	1	124.9650	0.000	1	124.9650	0.000	1	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:S-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]S)(C[6a]C[6a]H)	S(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(S){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	S(C[6]C[6,6a]N[6,6])	123.2390	0.000	1	123.2390	0.000	1	123.2390	0.000	1	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(S)	C[6,6a](C[6,6,6a]N[6,6a]N[6,6])(C[6a]N[6a]O)(C[6]N[6]S)	S(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(S){2|O<1>,3|N<3>}	C[6,6a](C[6,6,6a]N[6,6a]N[6,6])(C[6a]N[6a]O)(C[6]N[6]S){2|C<3>,4|C<4>}	S(C[6]C[6,6a]N[6])	125.8180	0.000	1	125.8180	0.000	1	125.8180	0.000	1	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(S)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]S)	S(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(S){1|H<1>,1|S<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]S){1|H<1>,5|C<3>}	S(C[6]C[6,6a]N[6])	121.9903	0.749	4	121.9903	0.561	4	121.9903	0.561	4	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]H)(S)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]S)	S(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]H)(S){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]S){1|N<2>,2|C<3>,3|H<1>}	S(C[6]C[6,6a]N[6])	124.5600	0.000	1	124.5600	0.000	1	124.2537	4.393	9	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S)	S(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(S){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,2|H<1>,3|C<4>}	S(C[6]C[6,6a]N[6])	120.1530	0.000	1	120.1530	0.000	1	124.2537	4.393	9	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S)	S(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S){3|C<3>,3|H<1>}	S(C[6]C[6,6a]N[6])	121.5910	0.000	1	121.5910	0.000	1	124.2537	4.393	9	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	S(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,3|H<1>}	S(C[6]C[6,6a]N[6])	124.6970	0.441	2	125.0427	0.456	3	124.2537	4.393	9	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	S(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,4|H<1>}	S(C[6]C[6,6a]N[6])	125.7340	0.000	1	125.0427	0.456	3	124.2537	4.393	9	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	S(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(S){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){3|C<3>,3|H<1>}	S(C[6]C[6,6a]N[6])	124.2530	0.000	1	124.2530	0.000	1	124.2537	4.393	9	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	977	0:SP2_SP-NON_SP2	C[6]	C[6,6a]	S	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6a]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	S(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6a]C[6])(S){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){1|N<3>,2|C<3>,2|H<1>}	S(C[6]C[6,6a]N[6])	126.2990	0.000	2	126.2990	0.000	2	124.2537	4.393	9	122.8604	4.520	27	124.4808	6.130	49	124.4808	6.130	49
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(CN)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C(C[6]C[6,6a]C[6])(N)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(CN){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<2>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6])(N)	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	118.8448	0.110	4	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C(C[6]C[6,6a]C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CN){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6a]C[6])(N)	118.9430	0.000	1	118.9430	0.000	1	118.9180	0.133	3	118.8448	0.110	4	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C(C[6]C[6,6a]C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ni<4>,1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6a]C[6])(N)	118.9055	0.514	2	118.9055	0.264	2	118.9180	0.133	3	118.8448	0.110	4	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(CC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C)(C[6a]C[6a]H)	C(C[6]C[5a,6]C[6,6a])(CSi)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(CC){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C(C[6]C[5a,6]C[6,6a])(CSi)	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	120.1127	0.879	18	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]2)(CRu)	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2)(CRu)	120.2182	0.877	4	120.2182	0.769	4	119.7548	0.991	6	120.1127	0.879	18	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]2)(CSi)	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2)(CSi)	118.8280	0.264	2	118.8280	0.070	2	119.7548	0.991	6	120.1127	0.879	18	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C)	C(C[6]C[6,6a]2)(CSi)	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C){1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]2)(CSi)	120.5130	0.057	2	120.5130	0.003	2	120.5945	0.689	4	120.1127	0.879	18	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]C)	C(C[6]C[6,6a]2)(CRu)	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]C){1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]2)(CRu)	120.6760	1.427	2	120.6760	2.036	2	120.5945	0.689	4	120.1127	0.879	18	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C(C[6]C[6,6a]C[6])(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(CC[6a])	120.1795	1.101	2	120.1795	1.212	2	119.9978	1.102	5	120.1127	0.879	18	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C(C[6]C[6,6a]C[6])(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ag<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a])	120.5870	0.240	2	120.5870	0.058	2	119.9978	1.102	5	120.1127	0.879	18	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C(C[6]C[6,6a]C[6])(CSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(CC){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(CSi)	118.4560	0.000	1	118.4560	0.000	1	119.9978	1.102	5	120.1127	0.879	18	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:N[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C(C[6]C[6,6a]N[6])(CC[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6])(CC[6])	120.8755	0.230	2	120.8755	0.053	2	120.8755	0.053	2	120.1127	0.879	18	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	C(C[6]C[6,6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]){1|S<2>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C(C[6]C[6,6a]2)2	120.8675	2.871	4	120.8675	8.245	4	120.8675	8.245	4	120.8675	8.245	4	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:	3:3:3:	3:3:	C[6,6a]-3:C[5,6]-4:C-2:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6])(CBrH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C(C[6]C[6,6a]C[5,6])(CBrH)	120.8890	0.515	2	120.8890	0.265	2	120.8890	0.265	2	122.8365	2.541	6	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:	3:3:3:	3:3:	C[6,6a]-3:C[6]-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C(C[6]C[6,6a]C[6])(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]2)	123.9820	0.000	1	123.9820	0.000	1	123.8367	0.527	3	122.8365	2.541	6	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:	3:3:3:	3:3:	C[6,6a]-3:C[6]-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C(C[6]C[6,6a]C[6])(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]2)	124.4790	0.000	1	123.7640	1.022	2	123.8367	0.527	3	122.8365	2.541	6	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:	3:3:3:	3:3:	C[6,6a]-3:C[6]-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C(C[6]C[6,6a]C[6])(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,6|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]2)	123.0490	0.000	1	123.7640	1.022	2	123.8367	0.527	3	122.8365	2.541	6	120.5593	3.211	32	120.5593	3.211	32
762	643	983	0:SP2_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:	3:3:3:	3:3:	C[6,6a]-3:C[6]-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CC[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C(C[6]C[6,6a]C[6])(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CC[6]){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,6|H<1>}	C(C[6]C[6,6a]C[6])(C[6]C[6]2)	123.7310	0.000	1	123.7310	0.000	1	123.7310	0.000	1	122.8365	2.541	6	120.5593	3.211	32	120.5593	3.211	32
762	643	992	0:SP2_SP2_SP3	C[6]	C[6,6a]	P	3:3:4:	3:3:3:	3:2:2:1:	C[6,6a]-3:C[6]-3:P-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P)	P(C[6]C[6,6a]C[6])(OC)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	P(C[6]C[6,6a]C[6])(OC)2(O)	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	121.1425	5.091	2	121.1425	5.091	2
762	643	992	0:SP2_SP2_SP3	C[6]	C[6,6a]	P	3:3:4:	3:3:3:	3:3:3:1:	C[6,6a]-3:C[6]-3:P-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PC[6a]2O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P)	P(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	P(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2(O)	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	121.1425	5.091	2	121.1425	5.091	2
762	658	658	6:SP2_SP3_SP3	C[6]	Si[6]	Si[6]	4:4:1:	4:3:1:1:	4:3:1:1:	Si[6]-4:Si[6]-4:H-1:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6](Si[6]C[6]Cl2)2(H)	Si[6](C[6]Si[6]HH)(C[6]Si[6]H)(Cl)2	Si[6](C[6]Si[6]HH)(C[6]Si[6]H)(Cl)2	C[6](Si[6]C[6]Cl2)2(H){1|Si<4>,4|H<1>}	Si[6](C[6]Si[6]HH)(C[6]Si[6]H)(Cl)2{4|Cl<1>,1|C<4>}	Si[6](C[6]Si[6]HH)(C[6]Si[6]H)(Cl)2{4|Cl<1>,1|C<4>}	115.7590	0.000	1	115.7590	0.000	1	115.7590	0.000	1	115.7590	0.000	1	116.1865	0.366	2	116.1865	0.366	2
762	658	658	6:SP2_SP3_SP3	C[6]	Si[6]	Si[6]	4:4:2:	4:3:4:4:	4:3:4:4:	Si[6]-4:Si[6]-4:C-2:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6](Si[6]C[6]CC)2(CC[3])	Si[6](C[6]C[6]HH)(C[6]Si[6]C)(CH3)2	Si[6](C[6]C[6]HH)(C[6]Si[6]C)(CH3)2	C[6](Si[6]C[6]CC)2(CC[3]){1|C<4>,4|H<1>}	Si[6](C[6]C[6]HH)(C[6]Si[6]C)(CH3)2{2|H<1>,3|C<4>}	Si[6](C[6]C[6]HH)(C[6]Si[6]C)(CH3)2{2|H<1>,3|C<4>}	116.6140	0.000	1	116.6140	0.000	1	116.6140	0.000	1	116.6140	0.000	1	116.1865	0.366	2	116.1865	0.366	2
762	658	762	0:SP2_SP2_SP3	C[3x6]	Si[6,6]	C[6]	4:4:3:	4:3:4:4:	3:3:1:	C[5x6]-4:Si[6,6]-4:C[6]-3:	C[3x6]-4:C[3x6]-3:C-4:C-4:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(Si[6,6]C[3x6]CC)(C[6]C[6]H)	Si[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5x6]C[6])(CH3)2	C[6](C[3x6]Si[6,6]C[5x6])(C[6]C[6]H)(H)	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(Si[6,6]C[3x6]CC)(C[6]C[6]H){3|C<3>,3|C<4>,4|H<1>}	Si[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5x6]C[6])(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[3x6]Si[6,6]C[5x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,5|C<4>}	125.2260	0.000	1	125.2260	0.000	1	125.2260	0.000	1	125.2260	0.000	1	125.2260	0.000	1	122.6470	6.057	3
762	658	762	0:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:3:	3:3:2:2:	3:2:1:	Si[6]-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:O[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](Si[6]C[6a]O[6]2)(C[6]C[6]H)2	Si[6](C[6a]C[6a]2)(C[6]C[6]2)(O[6]Si[6])2	C[6](C[6]Si[6]C[6])(C[6]C[6])(H)	C[6](Si[6]C[6a]O[6]2)(C[6]C[6]H)2{2|Si<4>,1|H<1>,3|C<3>}	Si[6](C[6a]C[6a]2)(C[6]C[6]2)(O[6]Si[6])2{1|C<2>,1|O<2>,4|H<1>,7|C<3>}	C[6](C[6]Si[6]C[6])(C[6]C[6])(H){2|C<3>,2|H<1>,2|O<2>}	122.3910	0.000	1	122.3910	0.000	1	122.3910	0.000	1	122.3910	0.000	1	121.3575	2.136	2	122.6470	6.057	3
762	658	762	0:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:3:	3:3:2:2:	3:3:1:	Si[6]-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](Si[6]C[6a]O[6]2)(C[6]C[6]H)2	Si[6](C[6a]C[6a]2)(C[6]C[6]2)(O[6]Si[6])2	C[6](C[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](Si[6]C[6a]O[6]2)(C[6]C[6]H)2{2|Si<4>,1|H<1>,3|C<3>}	Si[6](C[6a]C[6a]2)(C[6]C[6]2)(O[6]Si[6])2{1|C<2>,1|O<2>,4|H<1>,7|C<3>}	C[6](C[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,2|O<2>}	120.3240	0.000	1	120.3240	0.000	1	120.3240	0.000	1	120.3240	0.000	1	121.3575	2.136	2	122.6470	6.057	3
762	658	762	6:SP2_SP2_SP3	C[3x6]	Si[6]	C[5x6]	3:4:4:	3:3:4:4:	4:4:3:	C[5x6]-3:C[3x6]-4:Si[6]-4:	C[6,6a]-3:C[3x6]-3:C-4:C-4:	C[4x6]-4:C[5x6]-4:C[3x6]-3:	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC)	Si[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[5x6])(CH3)2	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6])	C[3x6](C[5x6]C[4x6]C[5x6])(C[3x6]C[6,6,6a]2H)(Si[6]C[6,6a]CC){1|C<4>,8|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[5x6])(CH3)2{2|C<4>,2|H<1>,4|C<3>}	C[5x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[5x6]C[6,6,6a]2C[5,3x6])(C[3x6]C[3x6]Si[6]){11|C<3>,1|H<1>,2|C<4>}	121.8720	0.000	1	121.8720	0.000	1	121.8720	0.000	1	121.8720	0.000	1	121.8720	0.000	1	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	3:4:1:	4:3:4:4:	3:3:3:	C[6]-3:Si[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(Si[6]C[6]CC)(H)	Si[6](C[6]C[6,6a]HH)(C[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]Si[6]H)	C[6](C[6]C[6,6a]C[6a])(Si[6]C[6]CC)(H){2|H<1>,4|C<3>}	Si[6](C[6]C[6,6a]HH)(C[6]C[6]H)(CH3)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]Si[6]H){3|C<4>,3|H<1>,4|C<3>}	121.8840	0.375	2	121.8840	0.140	2	121.8840	0.140	2	121.8840	0.140	2	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	3:4:1:	4:3:4:4:	4:3:3:	C[6]-3:Si[6]-4:H-1:	Si[6]-4:C[6]-3:Si-4:Si-4:	Ge[4,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]Ge[4,6]C[6a])(Si[6]Si[6]Si2)(H)	Si[6](Si[6]Si[6]CC)(C[6]C[6]H)(SiC3)2	C[6](Ge[4,6]Si[4]Si[6]C[4])(C[6a]C[6a]2)(C[6]Si[6]H)	C[6](C[6]Ge[4,6]C[6a])(Si[6]Si[6]Si2)(H){2|Si<4>,2|C<4>,3|C<3>}	Si[6](Si[6]Si[6]CC)(C[6]C[6]H)(SiC3)2{1|Ge<4>,1|C<3>,2|C<4>}	C[6](Ge[4,6]Si[4]Si[6]C[4])(C[6a]C[6a]2)(C[6]Si[6]H){5|Si<4>,2|C<4>,2|H<1>,4|C<3>}	134.7190	0.000	1	134.7190	0.000	1	134.7190	0.000	1	134.7190	0.000	1	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	3:4:3:	3:4:4:4:	3:3:3:	C[6]-3:Si[6]-4:C[6a]-3:	C[6]-3:Si[6]-4:C-4:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(Si[6]Si[6]CC)(C[6a]C[6a]2)	Si[6](C[6]C[6a]C[6])(Si[6]C[6]CC)(CH3)2	C[6](C[6]C[6a]Si[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(Si[6]Si[6]CC)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	Si[6](C[6]C[6a]C[6])(Si[6]C[6]CC)(CH3)2{5|C<3>}	C[6](C[6]C[6a]Si[6])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|H<1>,7|C<3>}	122.0110	1.424	2	122.0110	2.028	2	122.0110	2.028	2	122.0110	2.028	2	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	3:4:3:	4:3:4:4:	3:3:3:	C[6]-3:Si[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a])(Si[6]C[6]CC)(C[6a]C[6a]2)	Si[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]Si[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a])(Si[6]C[6]CC)(C[6a]C[6a]2){4|H<1>,6|C<3>}	Si[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CH3)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]Si[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:1:	3:3:1:1:	3:3:3:	Si[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:Br-1:	C[6]-3:C[6]-3:N-3:	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H)	Si[6](N[6]C[6a]C[6])(C[6]C[6]H)(Br)2	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H)	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	Si[6](N[6]C[6a]C[6])(C[6]C[6]H)(Br)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H){2|Br<1>,1|C<4>,1|N<3>}	119.0810	0.000	1	119.0810	0.000	1	119.6085	0.557	2	119.6085	0.557	2	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:1:	3:3:1:1:	3:3:3:	Si[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:Br-1:	C[6]-3:C[6]-3:N-3:	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H)	Si[6](N[6]C[6a]C[6])(C[6]C[6]H)(Br)2	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si)	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	Si[6](N[6]C[6a]C[6])(C[6]C[6]H)(Br)2{1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si){2|Br<1>,1|C<4>,1|N<3>}	120.1360	0.000	1	120.1360	0.000	1	119.6085	0.557	2	119.6085	0.557	2	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:1:	3:3:3:2:	4:3:1:	Si[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](Si[6]C[6a]C[6]O)(C[6]C[6]H)(H)	Si[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH)	C[6](C[6]C[6]CH)(C[6]Si[6]H)(H)	C[6](Si[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	Si[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]Si[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	121.6820	1.028	2	121.6820	1.057	2	121.6820	1.057	2	121.6820	1.057	2	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	Si[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](Si[6]C[6,6a]CC)(C[6]C[6]H)(O)	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2	C[6](C[6]C[6,6a]H)(C[6]Si[6]O)(H)	C[6](Si[6]C[6,6a]CC)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]Si[6]O)(H){2|C<3>,2|C<4>}	118.3810	0.000	1	118.3810	0.000	1	118.3810	0.000	1	118.3810	0.000	1	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:1:	3:3:4:4:	3:3:2:	Si[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:O-2:	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]O)(H)	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(CCCH)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]H)(OC[6a])	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]O)(H){3|C<3>}	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(CCCH)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]H)(OC[6a]){1|H<1>,2|C<4>,3|C<3>}	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](Si[6]C[6]CC)(C[6a]C[6a]2)(C[6]C[6]H)	Si[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3)2	C[6](C[6]C[6a]Si[6])(C[6]C[6]C)(H)	C[6](Si[6]C[6]CC)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,5|C<3>}	Si[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3)2{1|H<1>,4|C<3>}	C[6](C[6]C[6a]Si[6])(C[6]C[6]C)(H){2|C<4>,4|C<3>}	117.8350	0.000	1	117.8350	0.000	1	117.8350	0.000	1	117.8350	0.000	1	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:3:	3:3:4:4:	3:3:3:	Si[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:C-3:	C[6](Si[6]C[6]CC)(C[6]C[6]C)(COO)	Si[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3)2	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO)	C[6](Si[6]C[6]CC)(C[6]C[6]C)(COO){3|C<3>}	Si[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3)2{1|H<1>,4|C<3>}	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	121.3970	0.000	1	121.3970	0.000	1	121.3970	0.000	1	121.3970	0.000	1	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:3:	3:4:3:4:	4:3:3:	Si[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]C)(COO)	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]Si[6]C)(COO)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,4|H<1>}	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]Si[6]C)(COO){1|C<3>,2|C<4>,2|H<1>}	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:4:	3:3:4:4:	4:3:4:	Si[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:Ge-4:Ge-4:	Si[6]-4:C[6]-3:C-4:	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH)	Si[6](C[6]C[6]C)2(GeC3)2	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH)	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH){2|Ge<4>,1|C<3>,1|C<4>}	Si[6](C[6]C[6]C)2(GeC3)2{1|Si<4>,2|C<4>}	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH){2|Ge<4>,1|C<3>,1|C<4>}	123.1010	0.922	2	123.1010	0.850	2	123.1010	0.850	2	123.2832	0.563	4	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:4:	3:3:4:4:	4:3:4:	Si[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:Si-4:Si-4:	Si[6]-4:C[6]-3:C-4:	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH)	Si[6](C[6]C[6]C)2(SiC3)2	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH)	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH){2|Si<4>,1|C<3>,1|C<4>}	Si[6](C[6]C[6]C)2(SiC3)2{1|Si<4>,2|C<4>}	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH){2|Si<4>,1|C<3>,1|C<4>}	123.4655	0.841	2	123.4655	0.707	2	123.4655	0.707	2	123.2832	0.563	4	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:4:	4:3:4:1:	4:3:4:	Si[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:Si-4:H-1:	Si[6]-4:C[6]-3:C-4:	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH)	Si[6](C[6]C[6]HH)(C[6]C[6]C)(SiC3)(H)	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH)	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH){2|H<1>,3|C<4>}	Si[6](C[6]C[6]HH)(C[6]C[6]C)(SiC3)(H){1|Si<4>,3|C<4>}	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH){1|Si<4>,1|H<1>,3|C<4>}	123.8870	0.000	1	123.8870	0.000	1	123.8870	0.000	1	123.8870	0.000	1	122.2773	11.282	21	122.2589	10.753	22
762	658	762	6:SP2_SP2_SP3	C[6]	Si[6]	C[6]	4:3:4:	4:3:4:4:	4:3:4:	Si[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	Si[6]-4:C[6]-3:C-4:	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH)	Si[6](C[6]C[6]CC)(C[6]C[6]C)(CC3)2	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH)	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH){1|Si<4>,1|H<1>,3|C<4>}	Si[6](C[6]C[6]CC)(C[6]C[6]C)(CC3)2{1|Si<4>,1|C<4>,2|H<1>}	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH){2|H<1>,3|C<4>}	123.8650	0.000	1	123.8650	0.000	1	123.8650	0.000	1	123.8650	0.000	1	122.2773	11.282	21	122.2589	10.753	22
762	658	863	0:SP2_SP2_SP3	C[6]	Si[6]	O	4:3:1:	3:3:4:4:	3:	Si[6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-3:	C[6](Si[6]C[6,6a]CC)(C[6]C[6]H)(O)	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2	O(C[6]Si[6]C[6])	C[6](Si[6]C[6,6a]CC)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2{2|H<1>,3|C<3>}	O(C[6]Si[6]C[6])	120.8050	0.000	1	120.8050	0.000	1	120.8050	0.000	1	120.8050	0.000	1	120.8050	0.000	1	120.8050	0.000	1
762	658	930	0:SP2_SP2_SP3	C[6]	Si[6]	C	4:3:3:	3:3:4:4:	3:2:1:	Si[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:O-2:O-1:	C[6](Si[6]C[6]CC)(C[6]C[6]C)(COO)	Si[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3)2	C(C[6]Si[6]C[6])(OC)(O)	C[6](Si[6]C[6]CC)(C[6]C[6]C)(COO){3|C<3>}	Si[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3)2{1|H<1>,4|C<3>}	C(C[6]Si[6]C[6])(OC)(O)	116.8340	0.000	1	116.8340	0.000	1	116.8340	0.000	1	116.8340	0.000	1	116.2290	0.732	2	116.2290	0.732	2
762	658	930	0:SP2_SP2_SP3	C[6]	Si[6]	C	4:3:3:	3:4:3:4:	3:2:1:	Si[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]C)(COO)	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]Si[6]C[6])(OC)(O)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,4|H<1>}	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	C(C[6]Si[6]C[6])(OC)(O)	115.6240	0.000	1	115.6240	0.000	1	115.6240	0.000	1	115.6240	0.000	1	116.2290	0.732	2	116.2290	0.732	2
762	658	951	0:SP2_SP-NON_SP3	C[6]	Si[6]	H	3:4:1:	4:3:4:4:	3:	C[6]-3:Si[6]-4:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:	C[6](C[6]C[6,6a]C[6a])(Si[6]C[6]CC)(H)	Si[6](C[6]C[6,6a]HH)(C[6]C[6]H)(CH3)2	H(C[6]Si[6]C[6])	C[6](C[6]C[6,6a]C[6a])(Si[6]C[6]CC)(H){2|H<1>,4|C<3>}	Si[6](C[6]C[6,6a]HH)(C[6]C[6]H)(CH3)2{3|C<3>}	H(C[6]Si[6]C[6])	119.0650	0.167	2	119.0650	0.028	2	119.0650	0.028	2	116.9367	13.603	3	116.6256	21.542	10	116.6256	21.542	10
762	658	951	0:SP2_SP-NON_SP3	C[6]	Si[6]	H	3:4:1:	4:3:4:4:	3:	C[6]-3:Si[6]-4:H-1:	Si[6]-4:C[6]-3:Si-4:Si-4:	C[6]-3:	C[6](C[6]Ge[4,6]C[6a])(Si[6]Si[6]Si2)(H)	Si[6](Si[6]Si[6]CC)(C[6]C[6]H)(SiC3)2	H(C[6]Si[6]C[6])	C[6](C[6]Ge[4,6]C[6a])(Si[6]Si[6]Si2)(H){2|Si<4>,2|C<4>,3|C<3>}	Si[6](Si[6]Si[6]CC)(C[6]C[6]H)(SiC3)2{1|Ge<4>,1|C<3>,2|C<4>}	H(C[6]Si[6]C[6])	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1	116.9367	13.603	3	116.6256	21.542	10	116.6256	21.542	10
762	658	951	0:SP2_SP-NON_SP3	C[6]	Si[6]	H	4:3:1:	3:3:1:1:	3:	Si[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:Br-1:	C[6]-3:	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H)	Si[6](N[6]C[6a]C[6])(C[6]C[6]H)(Br)2	H(C[6]Si[6]C[6])	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	Si[6](N[6]C[6a]C[6])(C[6]C[6]H)(Br)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]Si[6]C[6])	120.1750	0.369	2	120.1750	0.136	2	120.1750	0.136	2	120.1750	0.136	2	116.6256	21.542	10	116.6256	21.542	10
762	658	951	0:SP2_SP-NON_SP3	C[6]	Si[6]	H	4:3:1:	3:3:3:2:	3:	Si[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](Si[6]C[6a]C[6]O)(C[6]C[6]H)(H)	Si[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH)	H(C[6]Si[6]C[6])	C[6](Si[6]C[6a]C[6]O)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	Si[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]Si[6]C[6])	119.1620	0.498	2	119.1620	0.248	2	119.1620	0.248	2	119.1620	0.248	2	116.6256	21.542	10	116.6256	21.542	10
762	658	951	0:SP2_SP-NON_SP3	C[6]	Si[6]	H	4:3:1:	3:3:4:4:	3:	Si[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-3:	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]O)(H)	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(CCCH)2	H(C[6]Si[6]C[6])	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]O)(H){3|C<3>}	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(CCCH)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]Si[6]C[6])	119.0660	0.000	1	119.0660	0.000	1	119.0660	0.000	1	119.0660	0.000	1	116.6256	21.542	10	116.6256	21.542	10
762	658	951	0:SP2_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:	4:3:1:1:	3:	Si[6]-4:Si[6]-4:H-1:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-3:	C[6](Si[6]C[6]Cl2)2(H)	Si[6](C[6]Si[6]HH)(C[6]Si[6]H)(Cl)2	H(C[6]Si[6]2)	C[6](Si[6]C[6]Cl2)2(H){1|Si<4>,4|H<1>}	Si[6](C[6]Si[6]HH)(C[6]Si[6]H)(Cl)2{4|Cl<1>,1|C<4>}	H(C[6]Si[6]2)	108.8530	1.072	2	108.8530	1.149	2	108.8530	1.149	2	108.8530	1.149	2	116.6256	21.542	10	116.6256	21.542	10
762	658	983	0:SP2_SP1_SP3	C[6]	Si[6]	C	4:4:2:	4:3:4:4:	4:3:	Si[6]-4:Si[6]-4:C-2:	C[6]-4:C[6]-3:C-4:C-4:	C[3]-4:C[6]-3:	C[6](Si[6]C[6]CC)2(CC[3])	Si[6](C[6]C[6]HH)(C[6]Si[6]C)(CH3)2	C(C[3]C[3]2H)(C[6]Si[6]2)	C[6](Si[6]C[6]CC)2(CC[3]){1|C<4>,4|H<1>}	Si[6](C[6]C[6]HH)(C[6]Si[6]C)(CH3)2{2|H<1>,3|C<4>}	C(C[3]C[3]2H)(C[6]Si[6]2)	121.6885	3.712	2	121.6885	13.776	2	121.6885	13.776	2	121.6885	13.776	2	121.6885	13.776	2	121.6885	13.776	2
762	679	856	0:SP2_SP2_SP3	C[6]	B[5a]	N[6]	3:4:3:	2:2:3:2:	3:3:4:	N[6]-3:B[5a]-4:B[6]-3:	O[5a]-2:O[5a]-2:C[6]-3:O-2:	C[6]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(B[5a]O[5a]2O)(B[6]N[6]O)	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a])	N[6](C[6]B[5a]B[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[5a]O[5a]2O)(B[6]N[6]O){1|C<4>,2|H<1>,5|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	N[6](C[6]B[5a]B[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>,4|O<2>}	128.4020	0.000	1	128.4020	0.000	1	128.4020	0.000	1	128.4020	0.000	1	128.4020	0.000	1	128.4020	0.000	1
762	727	727	0:SP2_SP2_SP2	C[6,6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:P[6,6]-4:	C[6,6]-3:C[5a,6]-3:N[5a]-3:	C[6,6]-3:C[5a,6]-3:N[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])2(P[6,6]C[5,6]2O)	C[5a,6](C[6,6]C[5a,6]P[6,6])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]Ni)	C[5a,6](C[6,6]C[5a,6]P[6,6])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]Ni)	C[6,6](C[5a,6]C[5a,6]N[5a])2(P[6,6]C[5,6]2O){1|Ni<4>,8|C<3>}	C[5a,6](C[6,6]C[5a,6]P[6,6])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,1|O<1>,1|S<4>,4|C<3>}	C[5a,6](C[6,6]C[5a,6]P[6,6])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,1|O<1>,1|S<4>,4|C<3>}	119.6400	0.000	1	119.6400	0.000	1	119.6400	0.000	1	119.6400	0.000	1	119.6400	0.000	1	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a])	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6])	C[5a](C[6]C[5a,6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a]){1|B<4>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	C[5a](C[6]C[5a,6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.4460	0.000	1	120.4460	0.000	1	120.4460	0.000	1	124.9843	13.283	4	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]O[6])(N[5a]C[5a]Zn)	C[5a](C[6]C[5a,6]O[6])(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(O[6]C[6]){1|Zn<5>,1|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]O[6])(N[5a]C[5a]Zn){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[6]C[5a,6]O[6])(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	127.9295	0.275	2	127.9295	0.076	2	127.9295	0.076	2	124.9843	13.283	4	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(S[6]C[6,6])	C[5a,6](C[5a,6]N[6,6]C[5a])(C[6]C[5a]S[6])(N[5a]C[5a]Ni)	C[5a](C[6]C[5a,6]S[6])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(S[6]C[6,6]){1|Ni<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]N[6,6]C[5a])(C[6]C[5a]S[6])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[6]C[5a,6]S[6])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	123.6320	0.000	1	123.6320	0.000	1	123.6320	0.000	1	124.9843	13.283	4	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a]){1|B<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	119.6520	0.000	1	119.7845	0.035	2	119.7845	0.035	2	120.0053	2.499	18	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a]){1|B<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	119.9170	0.000	1	119.7845	0.035	2	119.7845	0.035	2	120.0053	2.499	18	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	119.5140	1.212	2	119.4335	0.755	4	119.7384	0.823	10	120.0053	2.499	18	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	119.3530	0.878	2	119.4335	0.755	4	119.7384	0.823	10	120.0053	2.499	18	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>,2|N<3>}	120.0630	1.042	2	119.9417	0.904	6	119.7384	0.823	10	120.0053	2.499	18	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	119.9360	0.000	1	119.9417	0.904	6	119.7384	0.823	10	120.0053	2.499	18	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	119.7115	1.802	2	119.9417	0.904	6	119.7384	0.823	10	120.0053	2.499	18	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	120.1650	0.000	1	119.9417	0.904	6	119.7384	0.823	10	120.0053	2.499	18	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|S<2>,2|N<3>,3|C<3>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>,2|N<3>}	120.5237	2.554	6	120.5237	6.524	6	120.5237	6.524	6	120.0053	2.499	18	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5,5a]C[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5,5a]C[5a]){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(C[6]C[5a,6]2){1|Ga<4>,3|N<3>,4|C<3>}	119.4335	0.088	2	119.4335	0.008	2	119.4335	0.008	2	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6]C[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6]C[5a]){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]2){1|Ga<4>,2|N<3>,5|C<3>}	119.0995	0.018	2	119.0995	0.000	2	119.0995	0.000	2	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6a]C[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]2)(C[5a]S[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6a]C[5a]){1|B<4>,1|S<2>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]2)(C[5a]S[5a]H){1|H<1>,2|N<3>,4|C<3>}	119.6735	0.303	2	119.6735	0.092	2	119.6735	0.092	2	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2){1|B<4>,2|N<3>,3|C<3>}	119.3505	1.740	2	119.3505	3.028	2	119.7605	2.069	4	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,4|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2){1|B<4>,2|N<3>,3|C<3>}	120.1705	1.583	2	120.1705	2.507	2	119.7605	2.069	4	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a]S[5a]Se)(C[6]C[5a,6]2)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|Se<3>,1|B<4>,1|H<1>,1|S<2>,2|C<4>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]S[5a]Se)(C[6]C[5a,6]2)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|N<3>}	118.8195	0.139	2	118.8195	0.019	2	119.0793	0.893	4	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a]S[5a]Br)(C[6]C[5a,6]2)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|Br<1>,1|B<4>,1|S<2>,3|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]S[5a]Br)(C[6]C[5a,6]2)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|N<3>}	119.3390	1.546	2	119.3390	2.389	2	119.0793	0.893	4	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|O<2>,4|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|N<3>}	120.0585	0.346	2	120.0585	0.120	2	120.0217	0.606	4	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|S<2>,4|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,2|C<3>,2|N<3>}	119.9850	1.301	2	119.9850	1.693	2	120.0217	0.606	4	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a]){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>,2|N<3>}	120.0280	1.025	2	120.0280	1.051	2	120.0170	0.372	4	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a]){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>,2|N<3>}	120.0060	0.255	2	120.0060	0.065	2	120.0170	0.372	4	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni)	C[5a](C[6]C[5a,6]C[6,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[6]C[5a,6]C[6,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	118.8140	0.741	2	118.9254	0.163	5	118.8133	0.206	6	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni)	C[5a](C[6]C[5a,6]C[6,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni){1|O<1>,2|N<3>,4|C<3>}	C[5a](C[6]C[5a,6]C[6,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	118.9997	0.177	3	118.9254	0.163	5	118.8133	0.206	6	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni)	C[5a](C[6]C[5a,6]C[6,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[6]C[5a,6]C[6,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	118.2530	0.000	1	118.2530	0.000	1	118.8133	0.206	6	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]S[6])(C[6]C[6,6a]C[5a])	C[5a](C[6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2){1|S<2>,1|S<4>,3|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]S[6])(C[6]C[6,6a]C[5a]){1|H<1>,2|O<1>,7|C<3>}	C[5a](C[6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|N<3>,3|C<3>}	119.9620	0.000	1	119.9620	0.000	1	119.9620	0.000	1	119.4748	0.696	29	120.0941	4.175	51	120.0793	3.952	54
762	727	727	0:SP2_SP2_SP2	C[6]	C[5a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6]C[5a,6]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6]C[5a,6]2){1|B<4>,1|N<2>,2|N<3>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.9210	0.668	2	119.9210	0.446	2	119.9210	0.446	2	119.9210	0.446	2	119.9210	0.446	2	120.0793	3.952	54
762	727	727	6:SP2_SP2_SP2	C[6,6]	C[5a,6,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6]-3:C[5a,6]-3:N[6]-3:	C[5a,6]-3:C[6,6]-3:N[5a,6]-3:	C[6,6]-3:N[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6])	C[5a,6](C[6,6]C[5a,6,6]N[6])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H){1|B<4>,1|H<1>,6|C<3>}	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a,6](C[6,6]C[5a,6,6]N[6])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	119.7930	0.000	1	119.7930	0.000	1	119.7930	0.000	1	119.7930	0.000	1	119.7930	0.000	1	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])2(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])2(O){1|C<3>,2|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	109.7660	0.000	1	110.7414	0.425	5	110.7414	0.425	5	110.7414	0.425	5	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])2(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])2(O){1|C<3>,2|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<3>}	110.9853	0.412	4	110.7414	0.425	5	110.7414	0.425	5	110.7414	0.425	5	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	113.9780	0.000	1	114.1720	0.075	2	114.1720	0.075	2	113.1593	3.114	3	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|I<1>,1|O<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a]){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	114.3660	0.000	1	114.1720	0.075	2	114.1720	0.075	2	113.1593	3.114	3	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:O-1:	N[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[6]C[5a,6]O)(N[5a]C[5a,6])	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|N<2>,1|N<3>,4|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[6]C[5a,6]O)(N[5a]C[5a,6]){1|N<3>,1|O<1>,3|C<3>}	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	113.1593	3.114	3	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){2|Br<1>,1|B<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){1|Br<1>,1|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){1|Br<1>,1|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	122.3900	0.000	1	122.6340	0.119	2	123.0434	0.125	8	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){2|Br<1>,1|B<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	122.8780	0.000	1	122.6340	0.119	2	123.0434	0.125	8	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	123.1440	0.308	3	123.1798	0.062	6	123.0434	0.125	8	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	122.9420	0.000	1	123.1798	0.062	6	123.0434	0.125	8	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	123.3525	0.005	2	123.1798	0.062	6	123.0434	0.125	8	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6,6]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>,3|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	122.0680	0.000	1	122.0680	0.000	1	122.0680	0.000	1	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>,3|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H){1|B<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	123.4750	0.000	1	123.0104	0.334	7	123.0104	0.334	7	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H){1|B<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	122.9330	0.592	6	123.0104	0.334	7	123.0104	0.334	7	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	122.7800	0.471	5	122.3983	0.595	7	122.4641	0.468	9	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,3|C<3>,3|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	121.1840	0.000	1	122.3983	0.595	7	122.4641	0.468	9	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){2|N<3>,3|C<3>,3|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	121.7040	0.000	1	122.3983	0.595	7	122.4641	0.468	9	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	122.5610	0.000	1	122.6945	0.036	2	122.4641	0.468	9	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	122.8280	0.000	1	122.6945	0.036	2	122.4641	0.468	9	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	122.6910	0.000	1	122.3847	0.096	3	122.3847	0.096	3	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	122.2315	0.226	2	122.3847	0.096	3	122.3847	0.096	3	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	126.0040	0.000	1	126.6583	0.581	4	125.4211	8.931	20	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,3|C<3>,3|N<3>}	127.7530	0.000	1	126.6583	0.581	4	125.4211	8.931	20	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	126.5360	0.000	1	126.6583	0.581	4	125.4211	8.931	20	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,3|C<3>,3|N<3>}	126.3400	0.000	1	126.6583	0.581	4	125.4211	8.931	20	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	126.9610	0.000	1	126.9610	0.000	1	125.4211	8.931	20	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|In<5>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	128.4089	0.570	7	128.4089	0.325	7	125.4211	8.931	20	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|P<6>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>,3|N<3>}	121.7840	0.276	4	121.9958	0.164	8	125.4211	8.931	20	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|P<6>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,3|N<3>}	122.2075	0.433	4	121.9958	0.164	8	125.4211	8.931	20	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	123.6330	0.000	1	123.6330	0.000	1	122.2854	1.071	5	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	121.5950	0.000	1	121.5950	0.000	1	122.2854	1.071	5	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H){1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H){1|N<3>,2|F<1>,3|C<3>}	123.1750	0.000	1	123.1750	0.000	1	122.2854	1.071	5	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H){1|N<3>,2|F<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H){1|N<3>,2|F<1>,5|C<3>}	121.5120	0.045	2	121.5120	0.002	2	122.2854	1.071	5	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5,5a]B[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5,5a]B[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	122.6550	0.000	1	122.6550	0.000	1	122.6550	0.000	1	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	123.0520	0.102	2	123.0520	0.010	2	123.0520	0.010	2	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.5770	0.177	2	122.5795	0.055	4	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	122.5820	0.366	2	122.5795	0.055	4	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	122.0280	0.148	3	122.0280	0.022	3	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.4140	0.124	2	122.4140	0.015	2	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]2){2|Br<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	122.7040	0.000	1	122.7040	0.000	1	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<2>,1|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	121.2740	0.000	1	122.4284	0.404	15	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	122.5550	0.000	1	122.4284	0.404	15	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	122.1715	0.337	2	122.4284	0.404	15	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	122.1850	0.000	1	122.4284	0.404	15	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	121.7600	0.000	1	122.4284	0.404	15	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	122.2280	0.000	1	122.4284	0.404	15	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	122.8930	0.585	2	122.4284	0.404	15	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	123.0365	0.370	4	122.4284	0.404	15	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	121.5240	0.000	1	122.4284	0.404	15	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	122.6250	0.000	1	122.4284	0.404	15	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	122.1845	0.279	2	121.8970	0.205	4	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	121.9310	0.000	1	121.8970	0.205	4	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,2|F<1>}	121.2880	0.000	1	121.8970	0.205	4	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|O<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	121.6760	0.000	1	121.6760	0.000	1	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	120.9870	0.000	1	120.9870	0.000	1	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|Br<1>,1|Pd<4>,1|C<3>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	122.0970	0.000	1	122.2205	0.053	4	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	122.4125	0.042	2	122.2205	0.053	4	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	121.9600	0.000	1	122.2205	0.053	4	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	123.7520	0.147	2	122.8180	1.186	4	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	122.0370	0.000	1	122.8180	1.186	4	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	121.7310	0.000	1	122.8180	1.186	4	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|O<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	120.8590	0.000	1	120.8590	0.000	1	122.2906	0.439	40	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])2(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O)	C[6](C[5a,6]C[5a,6]N[5a])2(O){3|C<3>,4|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O){1|N<3>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O){1|N<3>,1|O<1>,3|C<3>}	109.0122	0.254	5	109.0122	0.064	5	109.0122	0.064	5	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|C<4>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O){1|O<1>,4|C<3>}	113.2500	0.000	1	113.2500	0.000	1	113.2500	0.000	1	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:O-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,4|H<1>}	115.3810	0.038	2	115.3810	0.001	2	115.3810	0.001	2	122.1744	14.052	105	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CN)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CN){1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C){1|N<3>,2|F<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C){1|N<3>,2|F<1>,5|C<3>}	122.0390	0.000	1	122.0390	0.000	1	122.0390	0.000	1	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	121.0660	0.000	1	121.4373	0.177	3	120.8312	0.158	17	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	121.3510	0.000	1	121.4373	0.177	3	120.8312	0.158	17	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	121.8950	0.000	1	121.4373	0.177	3	120.8312	0.158	17	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	120.7013	0.252	14	120.7013	0.064	14	120.8312	0.158	17	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:O-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){2|Br<1>,1|B<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|F<1>}	125.5830	0.000	1	123.9210	5.524	2	123.9210	5.524	2	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:O-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){2|Br<1>,1|B<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	122.2590	0.000	1	123.9210	5.524	2	123.9210	5.524	2	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:O-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(OC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(OC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	121.2930	0.119	2	121.4353	0.068	3	121.7634	0.355	12	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:O-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(OC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(OC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	121.7200	0.000	1	121.4353	0.068	3	121.7634	0.355	12	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:O-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	121.9241	0.671	8	121.8728	0.417	9	121.7634	0.355	12	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:O-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	121.4620	0.000	1	121.8728	0.417	9	121.7634	0.355	12	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(SC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(SC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	120.7750	0.000	1	120.7750	0.000	1	120.9718	0.251	4	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a]){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|F<1>}	121.5720	0.000	1	121.0373	0.351	3	120.9718	0.251	4	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a]){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	121.1390	0.000	1	121.0373	0.351	3	120.9718	0.251	4	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:S-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a]){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	120.4010	0.000	1	121.0373	0.351	3	120.9718	0.251	4	121.3628	0.960	36	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CHO)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CHO){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	121.8350	0.000	1	121.8350	0.000	1	121.8350	0.000	1	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	120.6940	0.000	1	120.6940	0.000	1	119.2569	2.885	28	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	120.8160	0.119	2	119.9633	2.188	3	119.2569	2.885	28	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	118.2580	0.000	1	119.9633	2.188	3	119.2569	2.885	28	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	119.8850	0.000	1	119.8850	0.000	1	119.2569	2.885	28	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	119.8620	0.069	2	118.3442	2.560	13	119.2569	2.885	28	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	118.0683	1.589	11	118.3442	2.560	13	119.2569	2.885	28	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	122.4370	0.000	1	122.1900	0.063	3	119.2569	2.885	28	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	121.9360	0.000	1	122.1900	0.063	3	119.2569	2.885	28	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	122.1970	0.000	1	122.1900	0.063	3	119.2569	2.885	28	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	118.8110	0.000	1	119.1900	0.287	2	119.2569	2.885	28	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	119.5690	0.000	1	119.1900	0.287	2	119.2569	2.885	28	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	119.0596	0.630	5	119.0596	0.397	5	119.2569	2.885	28	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5,5a]C[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5,5a]C[5a]){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.1030	0.000	1	121.1030	0.000	1	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6]C[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6]C[5a]){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.7630	0.000	1	121.7630	0.000	1	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6a]C[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6a]C[5a]){1|B<4>,1|S<2>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.6430	0.000	1	120.6430	0.000	1	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.2170	0.000	1	121.7845	0.644	2	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|Se<3>,1|B<4>,1|H<1>,1|S<2>,2|C<4>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	122.3520	0.000	1	121.7845	0.644	2	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.1570	0.000	1	120.1970	0.413	5	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,4|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.6570	0.000	1	120.1970	0.413	5	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|O<2>,4|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.8470	0.000	1	120.1970	0.413	5	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|S<2>,4|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.0280	0.000	1	120.1970	0.413	5	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|Br<1>,1|B<4>,1|S<2>,3|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	121.2960	0.000	1	120.1970	0.413	5	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a]){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	119.9080	0.000	1	119.9455	0.003	2	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a]){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	119.9830	0.000	1	119.9455	0.003	2	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a]){1|B<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	120.3840	0.000	1	120.3840	0.000	1	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	120.8380	0.000	1	121.0645	0.103	2	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	121.2910	0.000	1	121.0645	0.103	2	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	119.8730	0.000	1	120.0800	0.187	3	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	119.7900	0.000	1	120.0800	0.187	3	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	120.5770	0.000	1	120.0800	0.187	3	120.5948	0.597	18	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|S<2>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|S<2>,2|N<3>,3|C<3>}	118.5430	0.178	3	118.5430	0.032	3	118.5430	0.032	3	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])2(C[6]C[5a,6]2)	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])2(C[6]C[5a,6]2){1|B<3>,2|H<1>,2|S<2>,6|C<3>}	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,5|C<3>}	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2){1|C<2>,1|P<5>,4|H<1>,5|C<3>}	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	117.3550	0.000	1	117.3550	0.000	1	117.3550	0.000	1	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]2){1|B<4>,2|C<4>,8|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	122.0070	0.000	1	122.0070	0.000	1	121.7833	0.117	10	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]C[6])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]C[6]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.8510	0.000	1	121.8510	0.000	1	121.7833	0.117	10	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.9890	0.000	1	121.8770	0.112	6	121.7833	0.117	10	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	121.8030	0.000	1	121.8770	0.112	6	121.7833	0.117	10	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.6280	0.445	2	121.8770	0.112	6	121.7833	0.117	10	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	121.8700	0.000	1	121.8770	0.112	6	121.7833	0.117	10	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|Cl<1>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	122.3440	0.000	1	121.8770	0.112	6	121.7833	0.117	10	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|N<3>,3|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	121.3565	0.151	2	121.3565	0.023	2	121.7833	0.117	10	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[6]-3:N[5a,6]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|I<1>,1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|I<1>,1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	121.4295	0.387	2	121.3702	0.105	6	121.3702	0.105	6	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[6]-3:N[5a,6]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|C<4>,2|F<1>,2|H<1>,4|C<3>}	121.3405	0.350	4	121.3702	0.105	6	121.3702	0.105	6	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,7|C<3>}	120.7490	0.000	1	120.7490	0.000	1	121.5933	0.536	3	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	122.0155	0.059	2	122.0155	0.003	2	121.5933	0.536	3	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.1910	0.000	1	120.1910	0.000	1	120.1910	0.000	1	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	121.5570	0.054	2	121.5950	0.003	4	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,1|S<2>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	121.6330	0.011	2	121.5950	0.003	4	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6,6a]C[6a])	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6,6a]C[6a]){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	121.6100	0.000	1	121.6100	0.000	1	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|C<4>,8|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.8947	0.602	3	121.6535	0.474	4	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|C<4>,8|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	120.9300	0.000	1	121.6535	0.474	4	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|H<1>,8|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	120.6280	0.000	1	120.2193	0.161	3	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|H<1>,8|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.0150	0.266	2	120.2193	0.161	3	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a])	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.4795	0.073	2	121.6490	0.089	3	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a])	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	121.9880	0.000	1	121.6490	0.089	3	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	120.4850	0.000	1	120.5034	0.531	5	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	120.3650	0.000	1	120.5034	0.531	5	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,2|F<1>,2|N<3>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	119.4770	0.000	1	120.5034	0.531	5	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	121.0950	0.594	2	120.5034	0.531	5	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Br<1>,1|B<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	121.4730	0.000	1	121.4730	0.000	1	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.4160	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.3595	0.182	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,3|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	120.9850	0.000	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,3|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.4810	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.6420	0.860	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<1>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<1>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	120.7870	0.692	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|F<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	122.2195	0.951	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|F<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	123.1425	0.865	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|F<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	123.2065	1.087	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	121.3980	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	121.7510	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	121.3555	0.621	4	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.2120	0.204	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<2>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<2>,3|C<3>}	121.6660	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.3811	0.443	65	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	122.1550	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	121.1108	0.225	5	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	121.4685	0.715	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	121.4649	0.295	11	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	122.1830	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	121.5837	0.193	6	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	120.2480	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	121.5591	0.672	8	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	121.2100	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,2|F<1>,2|N<3>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	121.4125	0.182	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	121.6335	0.347	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	121.2562	0.726	4	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	122.4845	0.151	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	121.7492	0.568	13	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	121.7540	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,5|C<3>}	122.4053	0.105	3	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	121.3905	0.408	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|F<1>,1|H<1>,1|N<3>,4|C<3>}	120.9700	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	120.7195	0.131	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	121.2490	0.071	3	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	120.8990	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	120.6020	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	122.0050	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Si<4>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.4730	0.038	2	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|C<4>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	122.2000	0.000	1	121.4957	0.340	167	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a]){2|Cl<1>,1|N<3>,2|F<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a]){2|Cl<1>,1|N<3>,2|F<1>,5|C<3>}	121.2850	0.000	1	121.2850	0.000	1	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.4440	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.6120	0.180	2	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.2300	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|S<2>,3|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.2670	0.396	3	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.3350	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.2710	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.4771	0.397	9	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<2>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.4605	0.644	2	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	119.9120	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	120.4820	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|Pd<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|Pd<4>,1|N<3>,2|F<1>,3|C<3>}	120.2600	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	119.9710	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	120.5970	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	120.9300	0.547	3	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	119.7470	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<4>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.5620	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	120.2401	0.364	8	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.0731	0.438	10	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	120.8590	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	120.6690	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.0720	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.7920	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Si<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.5530	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	120.9250	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	120.9570	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	121.0780	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.6780	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.7430	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	120.3060	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.8537	0.432	3	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	119.2410	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.9350	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	120.3841	0.543	11	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.4640	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	120.8030	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|C<2>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|C<2>,1|N<3>,2|F<1>,3|C<3>}	119.5820	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	120.5885	0.515	4	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|F<1>,4|C<3>}	120.5700	0.339	5	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	119.4690	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,5|C<3>}	119.4325	0.015	2	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	119.2870	0.161	4	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	120.0316	0.335	5	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.1259	0.657	11	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	120.4200	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.1055	0.406	4	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	119.9384	0.401	24	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	119.8960	0.458	3	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Cl<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Cl<1>,1|N<3>,2|F<1>,3|C<3>}	119.2070	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Br<1>,1|B<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	121.2890	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|N<2>,3|H<1>,5|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.6550	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	122.1600	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	121.8940	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	121.8590	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.9117	0.148	3	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.3220	0.000	1	120.2391	0.338	152	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]S)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]S)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|H<1>,2|S<2>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]S){1|Br<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]S){1|Br<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	120.5980	0.000	1	120.5980	0.000	1	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	119.0180	0.000	1	119.0180	0.000	1	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	120.8930	0.000	1	120.8930	0.000	1	120.9073	0.728	344	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|F<1>,5|C<3>}	121.1700	0.000	1	121.1700	0.000	1	120.3495	0.395	8	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	121.3880	0.000	1	121.3880	0.000	1	120.3495	0.395	8	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){2|F<1>,2|N<3>,4|C<3>}	120.3610	0.000	1	120.3610	0.000	1	120.3495	0.395	8	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	120.3990	0.000	1	119.9754	0.078	5	120.3495	0.395	8	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	119.9543	0.030	3	119.9754	0.078	5	120.3495	0.395	8	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	119.6150	0.000	1	119.9754	0.078	5	120.3495	0.395	8	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<5>,1|C<4>,1|H<1>,2|F<1>,6|C<3>}	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<3>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	124.3680	0.000	1	124.5700	0.082	2	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<5>,1|C<4>,1|H<1>,2|F<1>,6|C<3>}	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	124.7720	0.000	1	124.5700	0.082	2	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C[6])	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<4>,1|H<1>,2|F<1>,7|C<3>}	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C[6]){1|H<1>,3|N<3>,6|C<3>}	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,4|C<3>}	124.3280	0.000	1	124.3280	0.000	1	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	122.3090	0.241	4	122.8749	0.630	18	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	122.7225	0.053	2	122.8749	0.630	18	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	123.2823	0.820	10	122.8749	0.630	18	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	122.1225	0.599	2	122.8749	0.630	18	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]N)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]N){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	121.1395	0.414	4	121.1395	0.172	4	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<5>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	118.4450	0.099	2	120.0288	1.884	10	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<5>,4|H<1>,6|C<3>}	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	117.9140	0.000	1	120.0288	1.884	10	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|F<1>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|F<1>,3|N<3>,4|C<3>}	120.1095	0.152	2	120.0288	1.884	10	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	121.3630	0.291	4	120.0288	1.884	10	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,4|H<1>,6|C<3>}	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	119.8130	0.000	1	120.0288	1.884	10	122.0018	3.014	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a,6a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])	C[6](C[5a,6]N[5a,6,6]C[5a,6a])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|O<2>,2|N<3>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|O<2>,2|N<3>,6|C<3>}	119.4917	0.403	3	119.4917	0.162	3	119.4917	0.162	3	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<4>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,4|C<3>}	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){3|N<3>,5|C<3>}	124.5310	0.000	1	124.5310	0.000	1	124.5310	0.000	1	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|N<3>,4|C<3>}	119.4043	0.120	3	119.4043	0.014	3	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	119.4010	0.498	4	118.4263	0.272	49	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,2|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,2|N<3>,4|C<3>}	118.3112	0.345	6	118.4263	0.272	49	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|N<3>,4|C<3>}	118.4376	0.407	24	118.4263	0.272	49	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,5|C<3>}	118.3395	0.285	6	118.4263	0.272	49	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	118.0979	0.571	9	118.4263	0.272	49	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,2|O<2>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,2|O<2>,4|C<3>}	125.3310	0.000	1	125.3310	0.000	1	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	124.4585	0.350	4	125.3490	0.956	12	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	124.5050	0.249	2	125.3490	0.956	12	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|O<3>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|O<3>,3|N<3>,4|C<3>}	126.1695	0.308	4	125.3490	0.956	12	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<1>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<1>,3|N<3>,4|C<3>}	126.3330	0.759	2	125.3490	0.956	12	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	122.5405	0.566	2	122.7630	0.309	3	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	123.2080	0.000	1	122.7630	0.309	3	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>,4|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>,4|N<3>}	121.8363	0.517	4	121.8363	0.267	4	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Si<5>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,3|O<2>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,3|O<2>,4|C<3>}	121.0380	0.000	1	120.9030	0.036	2	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Si<5>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	120.7680	0.000	1	120.9030	0.036	2	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Si<6>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<3>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<3>,3|N<3>,4|C<3>}	119.1635	0.087	2	119.1635	0.008	2	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<4>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,4|C<3>}	126.8410	0.000	1	125.5400	3.385	2	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	124.2390	0.000	1	125.5400	3.385	2	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	124.6375	0.623	2	124.6546	0.841	11	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	124.6730	0.000	1	124.6546	0.841	11	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	125.1952	0.813	5	124.6546	0.841	11	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	124.5430	0.000	1	124.6546	0.841	11	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	123.3670	0.765	2	124.6546	0.841	11	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<5>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	120.3260	0.000	1	121.6023	1.673	6	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<5>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	119.6790	0.000	1	121.6023	1.673	6	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|F<1>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|F<1>,3|N<3>,4|C<3>}	122.3900	0.000	1	121.6023	1.673	6	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	122.4925	0.658	2	121.6023	1.673	6	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<6>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	122.2340	0.000	1	121.6023	1.673	6	120.8241	8.824	95	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6,6a]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6a]B[6,6,6a]C[5a,6a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]B[6,6,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6,6a]B[6,6,6a]C[5a,6a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[5a,6](N[5a,6,6]B[6,6,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	120.1480	0.237	4	120.1480	0.056	4	120.1480	0.056	4	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.1450	0.000	1	120.1450	0.000	1	120.1450	0.000	1	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	120.7220	0.278	6	120.7220	0.077	6	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	121.6100	0.000	1	121.6100	0.000	1	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	119.5495	0.528	2	119.5495	0.279	2	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	119.9560	0.202	2	119.9560	0.041	2	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	121.9040	0.000	1	121.9040	0.000	1	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|O<2>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|O<2>,2|F<1>,4|C<3>}	120.2780	0.000	1	120.4700	0.074	2	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	120.6620	0.000	1	120.4700	0.074	2	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	121.2390	0.308	2	121.2390	0.095	2	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|F<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|F<1>,5|C<3>}	120.6960	0.000	1	120.6960	0.000	1	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	120.7880	0.627	3	120.6610	0.257	5	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	120.4705	0.344	2	120.6610	0.257	5	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	127.6630	0.488	3	127.1525	0.534	6	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	126.6420	0.561	3	127.1525	0.534	6	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|In<6>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>,5|N<3>}	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>,5|N<3>}	127.9410	0.421	2	128.5239	0.400	7	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|In<6>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	127.9040	0.000	1	128.5239	0.400	7	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|In<6>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	128.9702	0.346	4	128.5239	0.400	7	123.3388	13.185	35	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:N-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(NCC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NCC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	117.7100	0.000	1	117.7100	0.000	1	119.8978	0.775	16	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:N-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(NCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NCH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	119.4477	0.262	3	119.4477	0.069	3	119.8978	0.775	16	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:N-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	119.9937	0.201	10	119.9937	0.040	10	119.8978	0.775	16	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:N-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(NHN)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NHN){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	120.1100	0.000	1	120.1100	0.000	1	119.8978	0.775	16	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:N-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(NOO)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NOO){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	122.2640	0.000	1	122.2640	0.000	1	119.8978	0.775	16	120.9701	3.512	614	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	121.7885	0.616	2	121.7885	0.379	2	121.7885	0.379	2	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	121.4993	0.094	3	121.4993	0.009	3	122.0364	0.738	8	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CF3)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CF3){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	122.5267	1.032	4	122.3586	0.941	5	122.0364	0.738	8	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CF3)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CF3){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|S<2>,2|C<3>,2|F<1>}	121.6860	0.000	1	122.3586	0.941	5	122.0364	0.738	8	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CC3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CC3){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	117.8980	0.000	1	117.8980	0.000	1	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	120.2420	0.000	1	120.2420	0.000	1	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|F<1>}	120.3550	0.000	1	120.6175	0.138	2	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	120.8800	0.000	1	120.6175	0.138	2	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	120.8710	0.000	1	120.4297	0.150	3	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	120.2090	0.085	2	120.4297	0.150	3	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	121.0950	0.000	1	121.0950	0.000	1	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	120.8370	0.000	1	120.7998	0.197	12	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|O<2>}	120.7760	0.000	1	120.7998	0.197	12	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	120.1500	0.000	1	120.7998	0.197	12	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,2|F<1>,2|N<3>}	120.2220	0.000	1	120.7998	0.197	12	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	120.4980	0.402	2	120.7998	0.197	12	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	120.9540	0.000	1	120.7998	0.197	12	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<2>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<2>,2|C<4>}	121.0150	0.000	1	120.7998	0.197	12	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	121.1580	0.000	1	120.7998	0.197	12	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	120.9060	0.000	1	120.7998	0.197	12	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	121.2915	0.613	2	120.7998	0.197	12	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	119.7548	0.175	4	119.7548	0.031	4	120.4323	0.571	24	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5]-4:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5]C[5]2Fe)	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5]C[5]2Fe){1|In<5>,2|C<4>,4|C<3>,4|H<1>}	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>,3|N<3>}	124.8805	0.468	4	124.8805	0.219	4	124.8805	0.219	4	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[5]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[5]C[5]2Fe)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5]C[5]2Fe){1|B<4>,2|C<4>,4|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H){1|Fe<10>,1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H){1|Fe<10>,1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	119.4900	0.418	3	119.4900	0.175	3	119.4900	0.175	3	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2H){1|B<4>,3|C<4>,4|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>,3|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>,3|H<1>}	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	727	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:P-4:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3){1|Ga<5>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	123.8870	0.000	1	123.8870	0.000	1	123.8870	0.000	1	121.2150	2.653	43	121.0651	5.747	806	121.0635	5.742	807
762	727	762	0:SP2_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]S[5a]N[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5a,6](C[5a,6]S[5a]N[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	123.3520	0.000	1	123.3520	0.000	1	123.3520	0.000	1	123.3520	0.000	1	122.9735	3.490	10	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:N[5a,6]-3:C[5a]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O)	C[5a,6](C[6,6]C[6,6]C[6])(N[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]O)(O)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[6,6]C[6,6]C[6])(N[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]O)(O){1|N<3>,4|C<3>}	119.7700	0.000	1	119.7700	0.000	1	119.7700	0.000	1	121.6360	6.964	2	122.9735	3.490	10	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H)	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.5020	0.000	1	123.5020	0.000	1	123.5020	0.000	1	121.6360	6.964	2	122.9735	3.490	10	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:4:3:	3:3:2:	3:4:1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-3:S[5a]-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]C[6])(S[5a]C[5a])	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]C[6])(S[5a]C[5a]){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|S<2>,4|C<4>}	122.5257	0.365	3	122.5257	0.133	3	122.5257	0.133	3	122.5257	0.133	3	122.9735	3.490	10	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a]H)	C[6](C[6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	127.3950	0.000	1	127.3950	0.000	1	127.3950	0.000	1	127.3950	0.000	1	122.9735	3.490	10	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	N[5a,6]-3:C[6,6]-3:C[5a]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	122.7130	0.228	3	122.7130	0.052	3	122.7130	0.052	3	122.7130	0.052	3	122.9735	3.490	10	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2){1|C<2>,1|P<5>,4|H<1>,5|C<3>}	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,2|N<3>,3|C<3>}	121.3310	0.000	1	121.3310	0.000	1	121.3310	0.000	1	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2){1|C<2>,1|P<5>,4|H<1>,5|C<3>}	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,2|N<3>,3|C<3>}	121.3100	0.000	1	121.3100	0.000	1	121.3100	0.000	1	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]2){1|B<4>,2|C<4>,8|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5a,6]2){2|H<1>,2|N<3>,7|C<3>}	118.9970	0.000	1	118.9970	0.000	1	118.9970	0.000	1	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]C[6])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]2)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]C[6]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]2)(C[6]C[6]H){2|H<1>,3|N<3>,4|C<3>}	118.9255	0.418	2	118.9255	0.175	2	118.9255	0.175	2	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|Cl<1>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H){2|C<3>,2|H<1>,3|N<3>}	118.8280	0.144	2	118.8280	0.021	2	119.1057	0.504	15	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,2|N<3>,3|C<3>}	118.9870	0.000	1	118.9870	0.000	1	119.1057	0.504	15	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|N<3>}	119.0960	2.264	2	119.1104	0.819	8	119.1057	0.504	15	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|N<3>}	119.1817	0.386	4	119.1104	0.819	8	119.1057	0.504	15	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|N<3>}	118.9820	0.321	2	119.1104	0.819	8	119.1057	0.504	15	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[6]C[5a,6]2)(C[6]C[6,6a]H)(C[6]N[5]N[6])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|N<3>,3|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6,6a]H)(C[6]N[5]N[6]){1|Ru<9>,3|N<3>,5|C<3>}	119.2648	0.587	4	119.2648	0.344	4	119.1057	0.504	15	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6])	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Ir)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Ir)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	126.1425	1.643	2	126.1425	2.698	2	126.0750	1.154	6	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6])	C[6](C[6]C[5a,6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	127.0280	0.000	1	127.0280	0.000	1	126.0750	1.154	6	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Ir)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Ir)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	124.6340	0.000	1	124.6340	0.000	1	126.0750	1.154	6	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a,6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	126.1660	0.000	1	126.1660	0.000	1	126.0750	1.154	6	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Re)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Re)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Re){3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Re)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	126.3370	0.000	1	126.3370	0.000	1	126.0750	1.154	6	120.8663	9.349	26	120.8663	9.349	26	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6,6]	3:3:2:	3:3:3:	3:3:2:	C[6,6]-3:C[5a]-3:O[6]-2:	C[6]-3:C[5a]-3:C[5a]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[5a]C[5a]2)(O[6]C[6,6a])	C[5a](C[6]C[6,6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6])(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[5a]C[5a]2)(O[6]C[6,6a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6]C[6,6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6])(O[6]C[6]){3|H<1>,5|C<3>}	128.3810	0.000	1	128.3810	0.000	1	128.3810	0.000	1	128.3810	0.000	1	123.1435	54.863	2	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6,6]	3:3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6,6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P)	C[5a](C[6]C[6,6]C[6])(N[5a]C[5a]C)(N[5a]C[5a])	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P){2|C<3>,4|C<2>}	C[5a](C[6]C[6,6]C[6])(N[5a]C[5a]C)(N[5a]C[5a]){1|P<3>,2|C<2>,3|C<3>}	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|N<2>,1|N<3>,1|P<3>,2|C<2>}	117.9060	0.000	1	117.9060	0.000	1	117.9060	0.000	1	117.9060	0.000	1	123.1435	54.863	2	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	2:3:3:	3:3:3:	3:4:1:	O[6]-2:C[5a]-3:C[6]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[5,6,6])(C[5a]C[5a]2)(C[6]C[6]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H)	C[6](O[6]C[5,6,6])(C[5a]C[5a]2)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<4>,2|H<1>}	C[6](C[6]C[5a]O[6])(C[6]C[6,6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	127.0090	1.410	2	127.0090	1.988	2	127.0090	1.988	2	127.0090	1.988	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:2:3:	3:2:2:	4:3:2:	C[5a]-3:O[6]-2:C[6]-3:	C[6]-3:N[5a]-2:O[5a]-2:	C[6]-4:C[6]-3:O-2:	C[6](C[5a]N[5a]O[5a])(O[6]C[6,6a])(C[6]C[6]O)	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(O[5a]N[5a])	C[6](C[6]C[6,6a]HH)(C[6]C[5a]O[6])(OH)	C[6](C[5a]N[5a]O[5a])(O[6]C[6,6a])(C[6]C[6]O){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]HH)(C[6]C[5a]O[6])(OH){1|N<2>,1|O<2>,2|C<3>}	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:2:3:	3:3:2:	3:2:3:	C[5a]-3:N[6]-2:C[6]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[6]-3:S[6]-2:C-3:	C[6](C[5a]C[5a]S[5a])(N[6]N[5a,6])(C[6]S[6]C)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H)	C[6](C[5a]C[5a]S[5a])(N[6]N[5a,6])(C[6]S[6]C){1|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	119.8600	0.000	1	119.8600	0.000	1	119.8600	0.000	1	119.8600	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:2:3:	3:3:2:	4:3:1:	C[5a]-3:O[6]-2:C[6]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]C[6]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6])(H)	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6])(H){1|S<2>,5|C<3>}	128.6090	0.000	1	128.6090	0.000	1	128.6090	0.000	1	128.6090	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[6]-2:C[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	125.7296	0.649	13	125.7296	0.422	13	124.8506	1.640	21	124.8506	1.640	21	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[6]-2:C[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.9695	0.507	2	123.4223	0.197	8	124.8506	1.640	21	124.8506	1.640	21	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[6]-2:C[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.2398	0.255	6	123.4223	0.197	8	124.8506	1.640	21	124.8506	1.640	21	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:N[5a]-2:O[5a]-2:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]N[6]H)(N[6]C[6])	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6]Co)(H)	C[6](C[5a]N[5a]O[5a])(C[6]N[6]H)(N[6]C[6]){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6]Co)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	121.6480	0.000	1	121.6480	0.000	1	121.6480	0.000	1	121.2910	0.255	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:N[5a]-2:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6])	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,1|S<2>}	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	121.2910	0.255	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:2:2:	3:4:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:N[5a]-2:S[5a]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(O[6]C[6])	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(S[5a]C[5a])	C[6](C[6]C[5a]O[6])(C[6]C[6]2H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(S[5a]C[5a]){2|C<4>,3|H<1>}	C[6](C[6]C[5a]O[6])(C[6]C[6]2H)(H){1|N<2>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	124.3900	0.000	1	124.3900	0.000	1	124.3900	0.000	1	124.3900	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-2:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(C[6]C[6]2){1|H<1>,6|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	118.8510	0.000	1	118.8510	0.000	1	118.8510	0.000	1	120.2803	3.673	3	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-2:	C[5a]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	119.5320	0.000	1	119.5320	0.000	1	119.5320	0.000	1	120.2803	3.673	3	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-2:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<2>,2|N<3>}	122.4580	0.000	1	122.4580	0.000	1	122.4580	0.000	1	120.2803	3.673	3	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:2:3:	4:3:3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:O[5a]-2:C[6]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6])(O[6]C[6])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]O[6])(C[6a]C[6a]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6])(O[6]C[6]){1|Br<1>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]O[6]){1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]O[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	127.7820	0.000	1	127.7820	0.000	1	127.7820	0.000	1	127.7820	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:2:	3:2:2:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:S[5a]-2:	C[6]-3:S[6]-2:S-2:	C[6](C[5a]C[5a]S[5a])(C[6]S[6]S)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6]C[5a]O[6])(S[6]C[6])(SC)	C[6](C[5a]C[5a]S[5a])(C[6]S[6]S)(O[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[5a]O[6])(S[6]C[6])(SC){1|S<2>,2|C<3>,2|H<1>}	129.7000	0.000	1	129.7000	0.000	1	129.7000	0.000	1	129.7000	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:O[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]H)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]H)(O[6]C[6]){1|H<1>,1|S<1>,4|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6])(H){1|H<1>,1|O<2>,4|C<3>}	129.0040	0.000	2	129.0040	0.000	2	129.0040	0.000	2	126.0019	8.621	7	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:O[5a]-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]Cl)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(Cl)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]Cl)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(Cl){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	127.5420	0.824	2	127.5420	0.680	2	127.5420	0.680	2	126.0019	8.621	7	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:O[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6]C[5a]O[6])(C[6]C[6a]O[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|B<4>,1|C<3>,3|H<1>}	C[6](C[6]C[5a]O[6])(C[6]C[6a]O[6])(H){1|B<4>,1|O<2>,3|C<3>}	122.9737	0.620	3	122.9737	0.384	3	122.9737	0.384	3	126.0019	8.621	7	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6]-3:N[6]-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	121.3700	0.382	2	121.3700	0.146	2	121.3700	0.146	2	121.3700	0.146	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H)	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H){1|H<1>,1|S<2>,5|C<3>}	123.2730	0.407	2	123.2730	0.166	2	123.2730	0.166	2	123.2730	0.166	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>}	121.8520	0.000	1	121.8520	0.000	1	121.8520	0.000	1	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]O)(N[6]C[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]O)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a,6,6]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a,6,6]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a,6,6]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	122.7990	0.417	2	122.7990	0.174	2	122.7990	0.174	2	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,1|H<1>,1|I<1>,4|C<3>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	125.5367	1.719	4	125.2144	2.524	12	125.2144	2.524	12	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	124.7620	1.900	3	125.2144	2.524	12	125.2144	2.524	12	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	125.2280	1.632	5	125.2144	2.524	12	125.2144	2.524	12	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6]C[6]O[6])	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.4665	0.364	2	123.4665	0.133	2	123.4665	0.133	2	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6]C[5a]O[6])(C[6]C[6a]O[6])(H)	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]B[6]){2|C<3>,2|F<1>,2|H<1>,2|O<2>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H){1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a]O[6])(C[6]C[6a]O[6])(H){1|B<4>,4|C<3>}	123.2433	0.943	3	123.2433	0.890	3	124.3432	5.433	4	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(H){3|C<3>}	127.6430	0.000	1	127.6430	0.000	1	124.3432	5.433	4	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.4015	0.577	4	124.8140	1.631	50	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	125.0778	0.913	10	124.8140	1.631	50	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.6465	0.042	2	124.8140	1.631	50	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	124.0536	1.624	5	124.8140	1.631	50	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	125.4163	1.087	23	124.8140	1.631	50	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.6747	1.526	4	124.8140	1.631	50	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	124.7410	0.263	2	124.8140	1.631	50	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])(C[6]C[5]O[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,3|C<3>,3|F<1>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]C[5a]O[6])(C[6]C[5]O[6])(H){1|B<4>,1|N<2>,1|N<3>,2|C<3>}	123.3000	0.492	2	123.3000	0.242	2	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,3|C<3>,3|F<1>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|F<1>,2|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.2172	0.737	5	123.1729	0.451	8	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,3|C<3>,3|F<1>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.0990	0.692	3	123.1729	0.451	8	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,1|C<3>,3|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	122.2610	0.000	1	122.3040	0.577	4	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	122.3183	0.930	3	122.3040	0.577	4	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])(C[6]O[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[6](C[6]C[5a]O[6])(C[6]O[6]C)(H){1|B<4>,1|C<3>,1|N<3>}	122.8150	0.000	1	122.8150	0.000	1	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.6802	0.592	11	123.5365	0.584	31	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.9146	1.090	7	123.5365	0.584	31	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.4287	0.675	7	123.5365	0.584	31	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.3925	0.080	2	123.5365	0.584	31	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	122.7403	0.303	4	123.5365	0.584	31	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]O)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,2|F<1>,2|O<2>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]O)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	123.6780	0.465	2	123.6780	0.216	2	124.0990	1.662	98	124.1568	1.944	120	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(SC)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5a]O[6])2(SC){1|B<4>,2|C<3>,2|N<3>}	127.8535	0.040	2	127.1988	0.573	4	127.7465	0.547	10	127.7465	0.547	10	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(SC)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a]O[6])2(SC){1|B<4>,2|C<3>,2|N<3>}	126.5440	0.048	2	127.1988	0.573	4	127.7465	0.547	10	127.7465	0.547	10	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(SH)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5a]O[6])2(SH){1|B<4>,2|C<3>,2|N<3>}	128.5770	0.129	2	128.5770	0.017	2	127.7465	0.547	10	127.7465	0.547	10	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]O[6])2(SS)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a]O[6])2(SS){1|B<4>,2|C<3>,2|N<3>}	127.8790	0.424	4	127.8790	0.180	4	127.7465	0.547	10	127.7465	0.547	10	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:	3:3:3:	4:3:1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[5a]-3:C[5a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]2)(C[6]C[6,6]H)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6])(H)	C[6](C[5a]C[5a]2)(C[6]C[6,6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	126.6810	0.000	1	126.6810	0.000	1	126.6810	0.000	1	126.6810	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:2:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	120.0970	0.000	1	120.0970	0.000	1	120.0970	0.000	1	120.0970	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:2:2:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[6]-3:O[6]-2:N-2:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]H)(C[6]O[6]N)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH)	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]H)(C[6]O[6]N){4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	122.4760	1.203	2	122.0110	1.373	3	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	121.0810	0.000	1	122.0110	1.373	3	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	122.3470	0.000	1	122.0315	0.199	2	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	121.7160	0.000	1	122.0315	0.199	2	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	120.8550	0.000	1	120.8550	0.000	1	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	120.6645	0.254	2	120.7302	0.280	8	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	120.4147	0.365	4	120.7302	0.280	8	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<2>}	121.4270	0.346	2	120.7302	0.280	8	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<2>}	121.0755	0.950	2	120.8448	0.554	16	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Cd<6>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	121.0260	0.759	2	120.8448	0.554	16	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Co<6>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	120.5145	0.197	2	120.8448	0.554	16	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Mn<6>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	121.3750	1.120	2	120.8448	0.554	16	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Ni<6>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	121.1360	0.829	2	120.8448	0.554	16	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|Zn<6>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	120.9875	0.241	2	120.8448	0.554	16	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[5a](N[5a]N[5a])2(C[6]C[6]2){2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	120.3218	0.921	4	120.8448	0.554	16	121.0103	0.669	30	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H){1|C<3>,2|H<1>,2|N<2>}	119.6605	1.241	2	119.6605	1.540	2	120.0922	0.789	6	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	120.9320	0.000	1	120.9320	0.000	1	120.0922	0.789	6	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	120.5900	0.000	1	120.5900	0.000	1	120.0922	0.789	6	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]Ni)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Ni)(H){1|C<3>,2|H<1>,2|N<2>}	119.1590	0.000	1	119.1590	0.000	1	120.0922	0.789	6	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	120.5510	0.000	1	120.5510	0.000	1	120.0922	0.789	6	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	121.3460	0.000	1	120.9937	0.596	3	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	121.5270	0.000	1	120.9937	0.596	3	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	120.1080	0.000	1	120.9937	0.596	3	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	120.7410	0.590	2	120.7410	0.348	2	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<2>,1|O<2>,2|H<1>}	120.8680	0.000	1	120.8680	0.000	1	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	120.7390	1.962	2	120.7681	3.013	80	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	120.6110	1.051	2	120.7681	3.013	80	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	120.9795	1.090	34	120.7681	3.013	80	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	120.3093	2.487	24	120.7681	3.013	80	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	120.8493	2.111	10	120.7681	3.013	80	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	121.5798	0.609	4	120.7681	3.013	80	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	121.1675	0.449	2	120.7681	3.013	80	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	120.4385	0.605	2	120.7681	3.013	80	120.7765	2.820	86	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]Fe)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Fe)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	119.5820	0.000	1	119.5820	0.000	1	120.0827	0.973	3	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	121.2190	0.000	1	121.2190	0.000	1	120.0827	0.973	3	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]Mn)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Mn)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	119.4470	0.000	1	119.4470	0.000	1	120.0827	0.973	3	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]H)(C[6]O[6]N)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6])(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]H)(C[6]O[6]N){4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6])(H){1|O<2>,1|S<2>,2|N<2>,3|C<3>}	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(S[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|S<2>,2|H<1>}	123.1380	0.000	1	123.1380	0.000	1	121.4079	2.336	15	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6]C[6]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	123.6600	2.048	2	123.6600	4.193	2	121.4079	2.336	15	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	120.7650	1.936	2	120.7650	3.748	2	121.4079	2.336	15	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	120.6750	1.297	4	120.9130	0.927	10	121.4079	2.336	15	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	121.1385	0.923	2	120.9130	0.927	10	121.4079	2.336	15	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	120.9925	1.187	2	120.9130	0.927	10	121.4079	2.336	15	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	121.0840	0.799	2	120.9130	0.927	10	121.4079	2.336	15	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2){1|C<4>,1|O<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	119.3260	0.000	1	119.3260	0.000	1	119.3260	0.000	1	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a])(S[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]Ni)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Ni)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	118.1340	0.000	1	118.1340	0.000	1	118.1340	0.000	1	120.8178	2.243	143	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	2:2:3:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[4,5]-4:C[6]-3:C[6]-3:	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[4,5]C[4,5]O[4]O[5])(C[6]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2){1|C<4>,1|O<1>,4|C<3>}	C[6](C[4,5]C[4,5]O[4]O[5])(C[6]C[5a]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	124.3070	0.000	1	124.3070	0.000	1	124.3070	0.000	1	124.3070	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-2:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	120.2640	0.000	1	120.2640	0.000	1	123.4328	5.797	5	120.5989	9.550	16	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-2:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])2	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a])2{2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	124.2250	1.883	4	124.2250	3.545	4	123.4328	5.797	5	120.5989	9.550	16	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-2:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	125.8950	0.000	1	125.8950	0.000	1	125.8950	0.000	1	120.5989	9.550	16	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-2:O[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	119.0020	2.649	2	119.0020	7.016	2	119.3808	2.668	4	120.5989	9.550	16	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-2:O[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|Cu<6>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	120.2150	0.000	1	120.2150	0.000	1	119.3808	2.668	4	120.5989	9.550	16	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-2:O[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|Zn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	119.3040	0.000	1	119.3040	0.000	1	119.3808	2.668	4	120.5989	9.550	16	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-2:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a])	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H)	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a]){1|Re<6>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	118.0590	0.000	1	118.2065	0.044	2	118.1667	0.486	6	120.5989	9.550	16	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-2:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a])	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H)	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a]){1|Re<6>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>,2|S<2>}	118.3540	0.000	1	118.2065	0.044	2	118.1667	0.486	6	120.5989	9.550	16	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-2:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a]){1|Re<6>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	116.8250	0.000	1	116.8250	0.000	1	118.1667	0.486	6	120.5989	9.550	16	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-2:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H)	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a]){1|Re<6>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	118.4965	0.069	2	118.5873	0.027	3	118.1667	0.486	6	120.5989	9.550	16	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-2:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H)	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a]){1|Re<6>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	118.7690	0.000	1	118.5873	0.027	3	118.1667	0.486	6	120.5989	9.550	16	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:2:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[6]-3:N[6]-2:O-1:	C[6](C[5a]C[5a]O[5a])(C[6]N[6]H)(C[6]N[6]O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6])(O)	C[6](C[5a]C[5a]O[5a])(C[6]N[6]H)(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6])(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	120.5070	0.000	1	120.5070	0.000	1	120.5070	0.000	1	120.5070	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:2:2:	C[6]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:O[6]-2:N-2:	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.3050	0.000	1	118.3050	0.000	1	118.3050	0.000	1	118.3050	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:2:3:	C[6]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NHH)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:2:4:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)2{1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(C[6]C[6]2){1|H<1>,2|C<2>,2|C<4>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>,2|C<4>}	119.5435	0.449	2	119.5435	0.202	2	119.5435	0.202	2	119.5435	0.202	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a,6]N[5a])(C[6]C[6]H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a,6]N[5a])(C[6]C[6]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(C[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	121.4010	1.971	2	121.4010	3.886	2	121.4010	3.886	2	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a,6]S[5a])(C[6]C[6]O)2	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a,6]S[5a])(C[6]C[6]O)2{1|O<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(C[6]C[6]2){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|O<2>,1|S<2>,3|C<3>}	117.6240	0.000	1	117.6240	0.000	1	117.6240	0.000	1	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])2(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	121.3685	0.281	2	121.3685	0.079	2	122.1279	4.522	36	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])2(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	124.4954	0.894	10	124.4954	0.799	10	122.1279	4.522	36	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	121.5385	2.194	4	121.4412	1.638	12	122.1279	4.522	36	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	121.3175	0.257	2	121.4412	1.638	12	122.1279	4.522	36	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.9890	1.093	2	121.4412	1.638	12	122.1279	4.522	36	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	121.6317	0.753	4	121.4412	1.638	12	122.1279	4.522	36	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	121.0680	3.066	2	121.0680	9.400	2	122.1279	4.522	36	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.8133	2.596	6	120.8133	6.739	6	122.1279	4.522	36	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.5770	2.461	2	121.5770	6.055	2	122.1279	4.522	36	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	120.7240	1.947	2	120.7240	3.792	2	122.1279	4.522	36	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	120.5620	0.037	2	120.5620	0.001	2	117.7538	1.948	12	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	117.1921	0.527	10	117.1921	0.278	10	117.7538	1.948	12	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(O)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<1>}	121.1580	0.000	1	121.1580	0.000	1	121.1580	0.000	1	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	120.4810	0.939	2	120.4810	0.882	2	121.0872	1.554	4	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.6190	0.000	1	120.6190	0.000	1	121.0872	1.554	4	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	122.7680	0.000	1	122.7680	0.000	1	121.0872	1.554	4	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	118.1390	0.000	1	118.1390	0.000	1	118.1390	0.000	1	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]N[6]H)(C[6]N[6]O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[5]C[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]N[6]H)(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[5]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>,2|O<2>}	121.3680	0.000	1	121.3680	0.000	1	121.3680	0.000	1	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]H)(C[6]N[6]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]H)(C[6]N[6]H){1|Cd<6>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	122.6890	1.124	4	122.6890	1.263	4	122.6890	1.263	4	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|C<4>,1|S<2>,3|C<3>}	117.6820	0.000	1	117.6820	0.000	1	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	120.6845	1.563	2	120.6845	2.444	2	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	121.3870	0.721	4	121.3870	0.520	4	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	121.0945	0.349	2	121.6913	1.129	3	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	122.8850	0.000	1	121.6913	1.129	3	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>,2|S<2>}	121.5500	0.000	1	121.5500	0.000	1	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|Br<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	120.7539	1.366	8	121.2578	1.908	25	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	121.6200	1.290	2	121.2578	1.908	25	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Zn<5>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	121.3801	0.840	8	121.2578	1.908	25	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	121.7675	1.221	2	121.2578	1.908	25	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	121.8730	0.000	1	121.2578	1.908	25	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	121.4315	2.659	4	121.2578	1.908	25	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	122.1750	0.000	1	122.1750	0.000	1	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	122.0730	2.800	2	122.0730	7.841	2	121.2562	2.006	39	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]H)(C[6]N[6]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6,6a]Cd)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]H)(C[6]N[6]H){1|Cd<6>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6,6a]Cd)(H){1|H<1>,1|S<2>,3|C<3>}	121.1142	1.117	4	121.1142	1.247	4	121.1142	1.247	4	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	122.4465	1.177	2	122.5260	2.295	4	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	120.9510	0.000	1	122.5260	2.295	4	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	124.2600	0.000	1	122.5260	2.295	4	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	122.1230	0.000	1	122.1230	0.000	1	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	121.4560	0.000	1	122.5155	1.543	4	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	122.4995	1.521	2	122.5155	1.543	4	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	123.6070	0.000	1	122.5155	1.543	4	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|N<3>}	120.8387	0.889	3	120.7656	0.545	5	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	120.6560	0.750	2	120.7656	0.545	5	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	120.9820	4.088	2	120.9820	16.716	2	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.1970	1.734	2	121.1970	3.006	2	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.1245	1.685	4	121.1245	2.838	4	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.2605	2.732	2	121.2605	7.461	2	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.9775	3.161	2	120.9775	9.995	2	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	121.1235	2.146	2	120.8442	5.416	14	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.7977	2.443	12	120.8442	5.416	14	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.9727	4.283	6	120.9727	18.344	6	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.5935	2.150	4	120.5935	4.621	4	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|N<2>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.4795	2.302	4	120.4795	5.298	4	121.1370	5.145	54	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.9690	0.000	1	120.1700	2.941	3	120.0336	2.675	14	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.2705	1.013	2	120.1700	2.941	3	120.0336	2.675	14	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]Cu)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Cu)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.9510	0.000	1	117.9510	0.000	1	120.0336	2.675	14	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.5980	0.000	1	120.5980	0.000	1	120.0336	2.675	14	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.0190	0.000	1	120.0190	0.000	1	120.0336	2.675	14	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]O)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.3830	1.465	2	118.3830	2.147	2	120.0336	2.675	14	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]Zn)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Zn)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.8130	0.000	1	117.8130	0.000	1	120.0336	2.675	14	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	121.3610	1.100	3	121.3628	0.704	5	120.0336	2.675	14	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.3655	0.629	2	121.3628	0.704	5	120.0336	2.675	14	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6]C[6]N[6]){1|Cu<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|O<2>,2|C<3>}	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(C[6]C[6]H)	C[5a](C[5a]C[5a,6a]Ir)(S[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(C[6]C[6]H){1|C<4>,4|C<3>}	C[5a](C[5a]C[5a,6a]Ir)(S[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]C)(H){1|Ir<6>,1|S<2>,3|C<3>}	125.3235	0.388	2	125.3235	0.151	2	127.2220	1.183	17	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[5a]C[5a,6a]Ir)(S[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5a]N[6])(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|C<5>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]Ir)(S[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5a]N[6])(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>,4|B<6>}	126.6195	0.549	2	126.6195	0.302	2	127.2220	1.183	17	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[5a]C[5a,6a]Ir)(S[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]Ir)(S[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	127.7781	1.047	7	127.7337	0.762	10	127.2220	1.183	17	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[5a]C[5a,6a]Ir)(S[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]Ir)(S[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|H<1>,1|S<2>,2|C<3>}	127.6300	0.343	3	127.7337	0.762	10	127.2220	1.183	17	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[5a]C[5a,6a]Pd)(S[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]Pd)(S[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	126.7835	0.309	2	126.7835	0.095	2	127.2220	1.183	17	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a]C[5a,6a]Pt)(S[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]Pt)(S[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	127.9840	0.000	1	127.9840	0.000	1	127.2220	1.183	17	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.8040	0.103	2	124.4143	0.461	3	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Al<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.6350	0.000	1	124.4143	0.461	3	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	126.8390	0.000	1	125.6868	0.536	6	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	125.5267	0.530	3	125.6868	0.536	6	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|N<2>,1|N<3>,2|C<3>}	125.3510	0.697	2	125.6868	0.536	6	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	128.8240	0.000	1	125.5105	21.959	2	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.1970	0.000	1	125.5105	21.959	2	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	129.3020	0.000	1	129.3020	0.000	1	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.4405	0.359	2	124.4405	0.129	2	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|Mn<6>,1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	117.7890	0.000	1	117.7890	0.000	1	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Os)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Os)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.2900	0.233	2	124.2900	0.054	2	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Re)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Re)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Re)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.4830	0.000	1	124.4830	0.000	1	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	127.6380	0.378	5	127.0092	2.487	6	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.8650	0.000	1	127.0092	2.487	6	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	125.9280	0.000	1	124.3273	2.195	3	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.5270	0.740	2	124.3273	2.195	3	125.2762	5.495	27	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	120.5120	0.000	1	123.3480	16.086	2	123.3480	16.086	2	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	126.1840	0.000	1	123.3480	16.086	2	123.3480	16.086	2	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[5a]N[5a]2)(C[6]C[6]H){1|Pt<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	121.3180	0.000	1	121.3180	0.000	1	121.3180	0.000	1	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	N[6]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[5a]N[5a]2)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	122.1133	0.711	3	122.1133	0.505	3	124.6055	22.054	6	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	N[6]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Fe)(C[5a]N[5a]2)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	130.5615	0.080	2	130.5615	0.006	2	124.6055	22.054	6	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	N[6]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ir)(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[5a]N[5a]2)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|Ir<6>,1|N<2>,1|N<3>,2|C<3>}	120.1700	0.000	1	120.1700	0.000	1	124.6055	22.054	6	122.1292	9.025	227	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5a]C[5a,6]S[5a])(C[6]C[6]O)2	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	C[6](C[5a]C[5a,6]S[5a])(C[6]C[6]O)2{1|O<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(C[6]C[6]2){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,1|S<2>,3|C<3>}	123.5070	0.000	1	123.5070	0.000	1	123.5070	0.000	1	120.8720	13.886	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:O-2:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(OH)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2{1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<1>}	118.2370	0.000	1	118.2370	0.000	1	118.2370	0.000	1	120.8720	13.886	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	122.1220	0.000	1	122.1220	0.000	1	122.1220	0.000	1	121.8857	4.840	3	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	123.9580	0.000	1	123.9580	0.000	1	123.9580	0.000	1	121.8857	4.840	3	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6]-3:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6])(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[5a]C[6])(N[6]C[6]Pt)	C[6](C[6]C[6a]N[6])(C[5a]N[5a]2)(C[6]C[6]H){1|Pt<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5a]C[6])(N[6]C[6]Pt){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	119.5770	0.000	1	119.5770	0.000	1	119.5770	0.000	1	121.8857	4.840	3	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Cd)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cd)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cd)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cd)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.3670	0.000	1	122.3670	0.000	1	124.0264	1.896	18	124.0264	1.896	18	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]N[6]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.9030	0.687	2	124.9030	0.472	2	124.0264	1.896	18	124.0264	1.896	18	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.4640	0.000	1	123.4640	0.000	1	124.0264	1.896	18	124.0264	1.896	18	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]N[6]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	126.5230	0.000	1	126.5230	0.000	1	124.0264	1.896	18	124.0264	1.896	18	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.4070	1.035	4	123.4070	1.071	4	124.0264	1.896	18	124.0264	1.896	18	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.2170	0.000	1	123.2170	0.000	1	124.0264	1.896	18	124.0264	1.896	18	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	125.3200	0.000	1	125.3200	0.000	1	124.0264	1.896	18	124.0264	1.896	18	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.7215	0.077	2	122.7215	0.006	2	124.0264	1.896	18	124.0264	1.896	18	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ni)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ni)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.0570	0.000	1	124.0570	0.000	1	124.0264	1.896	18	124.0264	1.896	18	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]N[6]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.5400	0.000	1	124.5400	0.000	1	124.0264	1.896	18	124.0264	1.896	18	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	127.1240	0.000	1	127.1240	0.000	1	124.0264	1.896	18	124.0264	1.896	18	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]N[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]N[6]H){1|C<3>,1|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.4935	0.095	2	123.4935	0.009	2	124.0264	1.896	18	124.0264	1.896	18	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-2:P-3:	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P)	C[5a](C[6]C[6,6]C[6])(N[5a]C[5a]C)(N[5a]C[5a])	C[6](C[6]C[6,6]C[5a])(C[6]C[6])(PC[6]2)	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P){2|C<3>,4|C<2>}	C[5a](C[6]C[6,6]C[6])(N[5a]C[5a]C)(N[5a]C[5a]){1|P<3>,2|C<2>,3|C<3>}	C[6](C[6]C[6,6]C[5a])(C[6]C[6])(PC[6]2){1|C<2>,1|C<3>,1|N<2>,1|N<3>}	121.0950	0.000	1	121.0950	0.000	1	121.0950	0.000	1	121.0950	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:C[6]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	122.0220	0.000	1	122.0220	0.000	1	122.0220	0.000	1	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C)	C[5a](C[6]C[6]N[6])(C[5a]N[5a]H)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.7400	0.000	1	120.7400	0.000	1	122.2420	2.862	7	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	122.9250	0.000	1	122.4923	2.908	6	122.2420	2.862	7	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){2|C<3>,4|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	122.4058	1.892	5	122.4923	2.908	6	122.2420	2.862	7	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]N)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	120.9925	0.626	4	120.9925	0.392	4	122.6742	3.229	13	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.3290	0.000	1	122.3290	0.000	1	122.6742	3.229	13	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.9518	0.841	4	124.9518	0.707	4	122.6742	3.229	13	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.5970	0.000	1	122.5970	0.000	1	122.6742	3.229	13	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.1460	0.000	1	123.1460	0.000	1	122.6742	3.229	13	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	121.6570	0.000	1	121.6570	0.000	1	122.6742	3.229	13	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){1|Mn<6>,1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	121.2580	0.000	1	121.2580	0.000	1	122.6742	3.229	13	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[5a]C[5a]Os)(C[6]C[6]N[6])(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]Os)(C[6]C[6]N[6])(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<7>,1|H<1>,1|N<2>,2|C<3>}	127.5620	0.000	1	127.5620	0.000	1	127.5620	0.000	1	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[5a](C[5a]C[5a]Ru)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6]Ru)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]Ru)(C[6]C[6]N[6])(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|S<2>,3|C<3>}	124.5210	0.000	1	124.5210	0.000	1	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(C[6]C[6]H)	C[5a](C[5a]C[5a]Ir)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(C[6]C[6]H){1|C<4>,4|C<3>}	C[5a](C[5a]C[5a]Ir)(C[6]C[6]N[6])(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]C)(H){1|Ir<6>,1|S<2>,3|C<3>}	124.6490	0.909	2	124.6490	0.827	2	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Au)(C[6]C[6]H)	C[5a](C[5a]C[5a]Au)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Au)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Au)(C[6]C[6]N[6])(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,1|S<2>,2|C<3>}	127.4680	0.000	1	127.4680	0.000	1	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[5a]C[5,5a]Ir)(C[6]C[6]N[6])(S[5a]C[5,5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5,5a]Ir)(C[6]C[6]N[6])(S[5a]C[5,5a]){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	128.9300	0.000	1	128.9300	0.000	1	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[5a]C[5a]Ir)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Ir)(C[6]C[6]N[6])(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	127.4761	0.467	10	127.4761	0.218	10	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[5a]C[5a]Pd)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Pd)(C[6]C[6]N[6])(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	126.0836	0.682	5	126.4050	0.991	6	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[5a]C[5a]Pd)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Pd)(C[6]C[6]N[6])(S[5a]C[5a]){2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	128.0120	0.000	1	126.4050	0.991	6	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	126.2144	0.527	8	126.8753	1.438	22	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	126.4037	1.516	3	126.8753	1.438	22	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|S<2>,2|C<3>}	127.8840	0.276	2	126.8753	1.438	22	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	129.0710	0.000	1	126.8753	1.438	22	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a]){1|Si<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	128.0150	0.000	1	126.8753	1.438	22	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	127.0680	1.354	7	126.8753	1.438	22	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])2(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]Pt)(C[6]C[6]N[6])(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])2(H){2|Pt<4>,2|S<2>,3|C<3>}	130.1425	0.036	2	130.1425	0.001	2	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[5a](C[5a]C[5a]Re)(C[6]C[6]N[6])(S[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Re)(C[6]C[6]N[6])(S[5a]C[5a]){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>}	126.7520	0.000	1	126.7520	0.000	1	126.9935	1.858	46	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|Re<6>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	119.5640	0.000	1	119.5640	0.000	1	119.5640	0.000	1	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|Cu<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|O<2>,2|C<3>}	120.0690	0.000	1	120.0690	0.000	1	120.0690	0.000	1	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Cd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cd)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cd)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cd)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|N<2>,1|N<3>,2|C<3>}	121.8930	0.000	1	121.8930	0.000	1	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Co)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Co)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	126.1595	0.278	2	126.1595	0.077	2	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.9050	0.000	1	125.3953	1.171	7	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	125.4770	1.162	6	125.3953	1.171	7	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.0260	0.000	1	123.0260	0.000	1	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.8380	0.000	1	122.8380	0.000	1	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.0210	0.000	1	122.0210	0.000	1	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.6490	0.000	1	123.5683	1.111	4	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.4875	1.143	2	123.5683	1.111	4	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.6490	0.000	1	123.5683	1.111	4	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.4798	0.374	5	123.4798	0.140	5	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	127.8595	0.319	2	127.8595	0.102	2	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.8040	0.000	1	123.8040	0.000	1	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	129.9970	0.000	1	129.9970	0.000	1	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	128.0090	3.271	4	125.2334	4.329	19	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.3950	0.515	3	125.2334	4.329	19	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.5177	0.752	12	125.2334	4.329	19	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ir)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ir)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.6160	0.000	1	124.6160	0.000	1	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.6150	0.560	5	124.0873	0.458	18	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.8843	0.620	13	124.0873	0.458	18	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Ir<6>,1|C<3>,1|N<2>,1|N<3>}	123.7320	0.000	1	124.5557	0.766	4	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.8303	0.835	3	124.5557	0.766	4	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Mn)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Mn)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	127.1120	0.648	2	127.1120	0.420	2	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.9410	0.412	2	123.9410	0.169	2	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.1095	0.730	2	123.1095	0.534	2	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ni)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ni)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.9340	0.000	1	124.9340	0.000	1	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.7110	0.179	4	123.7110	0.032	4	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	125.2010	0.369	2	125.2010	0.136	2	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<3>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	129.4150	0.269	2	129.1909	0.204	7	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	129.1012	0.503	5	129.1909	0.204	7	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.5690	0.000	1	124.5690	0.000	1	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.1767	0.478	3	124.0754	0.275	5	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.9235	0.752	2	124.0754	0.275	5	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	126.8060	0.085	2	126.8060	0.007	2	124.9823	3.917	96	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:C[6]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](N[5a]C[5a,6]Fe)(C[6]C[6]N[6])(N[5a]C[5a,6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6]Fe)(C[6]C[6]N[6])(N[5a]C[5a,6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.1890	0.549	5	124.1890	0.302	5	124.6743	1.655	6	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:C[6]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](N[5a]C[5a,6]Zn)(C[6]C[6]N[6])(N[5a]C[5a,6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6]Zn)(C[6]C[6]N[6])(N[5a]C[5a,6]){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	127.1010	0.000	1	127.1010	0.000	1	124.6743	1.655	6	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Fe)(C[5a]N[5a]2)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	130.4585	2.040	4	130.4585	4.162	4	130.4585	4.162	4	125.2816	5.794	176	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6]-3:N[6]-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a])	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]){1|S<2>,2|H<1>,5|C<3>}	126.0055	1.289	2	126.0055	1.662	2	126.0055	1.662	2	126.0055	1.662	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5a]N[5a]2)(N[6]C[6]Mg)(C[6]C[6]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mg)(N[5a]C[5a])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(CH3)	C[6](C[5a]N[5a]2)(N[6]C[6]Mg)(C[6]C[6]C){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mg)(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(CH3){1|Mg<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	125.2665	0.657	2	125.2665	0.432	2	125.2665	0.432	2	125.2665	0.432	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)	C[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C){2|H<1>,7|C<3>}	C[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6]C)(COO){1|O<1>,1|S<2>,5|C<3>}	121.4360	0.000	1	121.4360	0.000	1	121.4360	0.000	1	121.4360	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:2:	4:3:3:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6]C[6a]N[6]H)(C[6]C[5a]N[6])(CSS)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5a]N[6])(CSS){1|O<2>,2|H<1>,4|C<3>}	126.7570	0.000	1	126.7570	0.000	1	126.7570	0.000	1	126.7570	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|H<1>,3|C<3>}	121.5220	0.000	1	120.6580	1.493	2	120.6580	1.493	2	120.8990	3.352	7	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	119.7940	0.000	1	120.6580	1.493	2	120.6580	1.493	2	120.8990	3.352	7	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[5a]C[5a,6a]N[5a])(C[6]O[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(O[6]C[6])(O)	C[6](C[5a]C[5a,6a]N[5a])(C[6]O[6]O)2{1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2){1|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(O[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	121.2313	2.405	4	121.2313	5.782	4	121.2313	5.782	4	120.8990	3.352	7	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	120.0520	0.000	1	120.0520	0.000	1	120.0520	0.000	1	120.8990	3.352	7	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	120.1480	0.000	1	120.4150	0.143	2	120.4150	0.143	2	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	120.6820	0.000	1	120.4150	0.143	2	120.4150	0.143	2	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,3|C<3>}	122.4530	0.000	1	122.4530	0.000	1	122.4530	0.000	1	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.4860	0.000	1	119.4860	0.000	1	117.8980	2.052	5	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	118.1010	1.814	2	118.1010	3.292	2	117.8980	2.052	5	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	116.9010	0.570	2	116.9010	0.325	2	117.8980	2.052	5	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[5a]C[5a,6a]N[5a])(C[6]N[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(O)	C[6](C[5a]C[5a,6a]N[5a])(C[6]N[6]O)2{1|H<1>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(O){1|C<3>,2|N<3>,2|O<1>}	120.5863	1.757	4	120.5863	3.087	4	120.5863	3.087	4	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.8680	0.000	1	119.8680	0.000	1	120.4396	3.432	25	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]N)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.9648	0.373	4	118.9648	0.139	4	120.4396	3.432	25	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.8910	0.000	1	116.8910	0.000	1	120.4396	3.432	25	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.6005	2.657	2	121.6005	7.058	2	120.4396	3.432	25	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>,2|N<3>}	123.5860	0.000	1	123.5860	0.000	1	120.4396	3.432	25	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	120.2530	0.000	1	120.2530	0.000	1	120.4396	3.432	25	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[6]C[6]2){2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.1090	4.055	2	121.1090	16.439	2	120.4396	3.432	25	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.8500	1.968	4	120.8500	3.873	4	120.4396	3.432	25	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	120.3000	0.000	1	120.3000	0.000	1	120.4396	3.432	25	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.7530	1.390	2	120.7530	1.933	2	120.4396	3.432	25	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.6515	1.311	6	120.6515	1.718	6	120.4396	3.432	25	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	123.9680	0.000	1	123.9680	0.000	1	121.7847	1.381	6	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|N<3>,2|C<3>,2|H<1>}	121.4650	0.000	1	121.4650	0.000	1	121.7847	1.381	6	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])2(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])2(O){2|H<1>,2|N<3>,3|C<3>}	121.3187	0.624	4	121.3187	0.390	4	121.7847	1.381	6	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a,6]C[5a])(C[6]C[6]H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|B<4>,1|C<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.5010	0.990	2	120.5010	0.980	2	120.5010	0.980	2	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6]C[6]2){2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	123.0940	2.035	4	123.0940	4.141	4	123.0940	4.141	4	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6]C[6]2){2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.3982	1.759	4	119.3982	3.095	4	119.3982	3.095	4	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[5,5a,6]-3:C[6]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a]C[5,5a,6]N[5a])(C[6]C[6,6a]H)(N[6]C[6]Pt)	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(C[6]C[6]N[6])(N[5a]N[5a]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6](C[5a]C[5,5a,6]N[5a])(C[6]C[6,6a]H)(N[6]C[6]Pt){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(C[6]C[6]N[6])(N[5a]N[5a]Pt){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	126.3978	0.591	4	126.3978	0.349	4	126.3978	0.349	4	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6]){1|B<4>,2|H<1>,7|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	117.9880	1.042	2	117.9880	1.086	2	117.9880	1.086	2	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.2490	0.000	1	124.2490	0.000	1	122.5437	1.429	4	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.9753	0.453	3	121.9753	0.205	3	122.5437	1.429	4	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Pt)(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Pt)(C[6]C[6]N[6]){2|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	126.6730	0.000	1	126.6730	0.000	1	126.6730	0.000	1	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6]C[6]N[6]){1|Co<4>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,3|C<3>}	121.0850	0.980	2	121.0850	0.960	2	121.0850	0.960	2	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]Pd)(C[6]C[6]H)	C[5a](C[5a]C[5a]Pd)(C[6]C[6]N[6])(N[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]Pd)(C[6]C[6]N[6])(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	126.8750	0.000	1	126.8750	0.000	1	126.1564	2.385	34	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Ir)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Ir){2|H<1>,5|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	125.4535	0.313	2	125.4535	0.098	2	126.1564	2.385	34	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]Ir)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]Ir){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	126.2220	0.000	1	126.2220	0.000	1	126.1564	2.385	34	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]N[5a]Ir)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]N[5a]Ir){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	124.4630	0.000	1	124.4630	0.000	1	126.1564	2.385	34	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Ni)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Ni){2|H<1>,5|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	130.4383	0.576	3	130.4383	0.331	3	126.1564	2.385	34	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Pt)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Pt){2|H<1>,5|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	125.8990	0.000	1	126.1346	0.046	5	126.1564	2.385	34	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Pt)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Pt){2|H<1>,5|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	126.1935	0.196	4	126.1346	0.046	5	126.1564	2.385	34	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Rh)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Rh)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Rh){2|H<1>,5|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	124.4710	0.000	1	124.4710	0.000	1	126.1564	2.385	34	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H)	C[5a](C[5a]C[5a]Cl)(C[6]C[6]N[6])(N[5a]C[5a]Ru)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Cl)(C[6]C[6]N[6])(N[5a]C[5a]Ru){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	125.0785	0.056	2	125.0785	0.003	2	126.1564	2.385	34	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Sn)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Sn)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Sn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Sn){1|H<1>,6|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Sn<3>,1|H<1>,1|N<3>,2|C<3>}	125.8462	0.899	14	125.7907	0.636	18	126.1564	2.385	34	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Sn)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Sn)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Sn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Sn){1|H<1>,6|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Sn<4>,1|H<1>,1|N<3>,2|C<3>}	125.5965	0.196	4	125.7907	0.636	18	126.1564	2.385	34	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,8|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	124.3860	0.000	1	124.3860	0.000	1	124.3860	0.000	1	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Cu<4>,1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	120.2540	0.154	2	120.2650	0.012	3	120.1687	0.577	6	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Pd<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	120.2870	0.000	1	120.2650	0.012	3	120.1687	0.577	6	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Ni<4>,1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	120.0723	1.184	3	120.0723	1.402	3	120.1687	0.577	6	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.3210	0.000	1	124.3210	0.000	1	121.4915	3.564	4	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|Cu<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	120.5160	0.000	1	120.5160	0.000	1	121.4915	3.564	4	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Fe<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	120.6550	0.000	1	120.6550	0.000	1	121.4915	3.564	4	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	120.4740	0.000	1	120.4740	0.000	1	121.4915	3.564	4	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ru)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ru)(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|N<3>,3|C<3>}	121.3130	0.200	4	121.3130	0.040	4	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ag)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ag)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ag)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ag<3>,1|H<1>,1|N<3>,2|C<3>}	124.1730	0.000	1	124.1730	0.000	1	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Al)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Al)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Al)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Al)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	123.9850	0.000	1	123.9850	0.000	1	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Co)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Co)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	130.8685	0.474	2	130.8685	0.225	2	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	122.8730	0.000	1	124.0095	2.583	2	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	125.1460	0.000	1	124.0095	2.583	2	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<5>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|Cu<5>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	118.4730	0.170	2	121.2117	13.292	4	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	123.9505	3.137	2	121.2117	13.292	4	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	123.7850	0.000	1	124.1527	0.289	8	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	124.1895	0.757	2	124.1527	0.289	8	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	123.9140	0.000	1	124.1527	0.289	8	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	124.2860	0.629	4	124.1527	0.289	8	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	124.3670	0.717	2	124.6522	0.282	4	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	124.9375	0.088	2	124.6522	0.282	4	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	125.5450	0.000	1	126.0865	0.586	2	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	126.6280	0.000	1	126.0865	0.586	2	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	124.4040	0.000	1	124.4040	0.000	1	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	124.2403	0.666	6	124.2921	0.291	9	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	124.4360	0.000	1	124.2921	0.291	9	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	124.5440	0.000	1	124.2921	0.291	9	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	124.2070	0.000	1	124.2921	0.291	9	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	123.9530	0.000	1	123.9530	0.000	1	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	126.1030	0.000	1	125.8594	1.282	10	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	126.9975	0.145	2	125.8594	1.282	10	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	124.9360	0.902	3	125.8594	1.282	10	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	125.9220	1.248	4	125.8594	1.282	10	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	124.6635	0.759	2	125.4121	3.970	13	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	124.5030	0.192	2	125.4121	3.970	13	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	123.3140	0.000	1	125.4121	3.970	13	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<7>,1|H<1>,1|N<3>,2|C<3>}	124.0558	0.923	4	125.4121	3.970	13	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	128.1217	0.433	4	125.4121	3.970	13	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	126.9636	0.472	15	126.9636	0.223	15	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	126.4150	0.000	1	126.6477	0.047	3	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<5>,1|H<1>,1|N<3>,2|C<3>}	126.7640	0.116	2	126.6477	0.047	3	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	124.0450	0.409	3	124.3375	0.454	4	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	125.2150	0.000	1	124.3375	0.454	4	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pt)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pt)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	127.0480	0.102	2	127.0480	0.010	2	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pt)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pt)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	126.6070	0.000	1	126.6070	0.000	1	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	123.9575	0.381	2	126.7555	4.936	14	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	125.3410	0.651	3	126.7555	4.936	14	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	125.5893	0.381	3	126.7555	4.936	14	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	129.6685	0.351	4	126.7555	4.936	14	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	127.5985	1.190	2	126.7555	4.936	14	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	124.7190	0.000	1	124.7190	0.000	1	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ru)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ru)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	124.8623	0.707	10	124.8623	0.500	10	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	124.8350	0.000	1	124.8350	0.000	1	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Zn)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Zn)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	125.9040	0.648	2	125.9040	0.420	2	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Zn)(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	124.5240	0.000	1	124.5240	0.000	1	125.3404	4.352	116	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-3:C[5a]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]O)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(O)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(O){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	124.0700	0.000	1	124.0700	0.000	1	124.0700	0.000	1	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]Cu)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Cu)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]Cu)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,1|N<3>,3|C<3>}	122.3910	0.000	1	122.3910	0.000	1	125.0545	7.861	16	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Cu)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]Cu)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	123.6395	0.308	2	123.6395	0.095	2	125.0545	7.861	16	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Ir)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]Ir)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<5>,1|H<1>,1|N<3>,2|C<3>}	123.4990	0.000	1	124.1240	0.468	3	125.0545	7.861	16	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Ir)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]Ir)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	124.4365	0.592	2	124.1240	0.468	3	125.0545	7.861	16	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Pd)(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Pd)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	130.5520	0.000	1	130.5520	0.000	1	125.0545	7.861	16	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Pd)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]Pd)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	128.7150	0.822	2	128.7150	0.675	2	125.0545	7.861	16	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	123.5320	0.502	2	123.5320	0.252	2	125.0545	7.861	16	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	127.3320	2.540	2	124.7568	10.040	5	125.0545	7.861	16	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	124.4270	0.249	2	124.7568	10.040	5	125.0545	7.861	16	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	120.2660	0.000	1	124.7568	10.040	5	125.0545	7.861	16	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O){1|C<4>,4|C<3>}	116.6260	0.887	2	116.6260	0.786	2	116.6260	0.786	2	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O)	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O){1|H<1>,6|C<3>}	116.3985	0.897	4	116.3985	0.805	4	116.3985	0.805	4	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Ru)(C[5a]C[5a]2)(C[6]C[6]H)	C[5a](C[5a]C[5a]Ru)(C[6]C[6]N[6])(C[5a]O[5a]C)	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H)	C[6](N[6]C[6,6]Ru)(C[5a]C[5a]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]Ru)(C[6]C[6]N[6])(C[5a]O[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,4|C<3>}	123.8980	0.000	1	123.8980	0.000	1	123.8980	0.000	1	123.8894	10.132	251	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,4|C<3>}	123.5170	2.703	2	123.5170	7.304	2	124.1287	4.232	4	124.1287	4.232	4	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,4|C<3>}	124.7405	1.974	2	124.7405	3.895	2	124.1287	4.232	4	124.1287	4.232	4	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	123.8395	0.310	2	123.8395	0.096	2	123.8395	0.096	2	123.2577	0.808	6	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C[5a]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2)	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2){1|O<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,5|C<3>}	122.9668	0.988	4	122.9668	0.976	4	122.9668	0.976	4	123.2577	0.808	6	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	119.8310	0.000	1	119.8310	0.000	1	119.8310	0.000	1	119.5133	0.219	3	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[5a]C[5a]2)(C[6]C[6]O)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O)	C[6](C[5a]C[5a]2)(C[6]C[6]O)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6]C[6]2){1|Ni<4>,1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	118.9760	0.000	1	118.9760	0.000	1	118.9760	0.000	1	119.5133	0.219	3	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:S[6]-4:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6])(S[6]C[6]OO)(H)	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(S[6]C[6]OO)(H){1|N<3>,2|C<3>,2|H<1>}	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	119.5133	0.219	3	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,3|C<4>}	120.9000	0.000	1	120.9000	0.000	1	120.9000	0.000	1	121.1140	0.092	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[6](C[5a]C[5a]2)(C[6]C[6]O)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH)	C[6](C[5a]C[5a]2)(C[6]C[6]O)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6]C[6]2){1|Ni<4>,1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,3|C<4>}	121.3280	0.000	1	121.3280	0.000	1	121.3280	0.000	1	121.1140	0.092	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	125.7925	0.139	2	125.8818	0.017	4	125.8818	0.017	4	125.8818	0.017	4	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){2|H<1>,5|C<3>}	125.9710	0.000	2	125.8818	0.017	4	125.8818	0.017	4	125.8818	0.017	4	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	N[5a]-4:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](N[5a]C[5a]Cu2)(C[6]C[6]N[6])(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<5>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]Cu2)(C[6]C[6]N[6])(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<4>,2|C<3>}	122.8235	0.790	2	122.8235	0.624	2	122.8235	0.624	2	122.8235	0.624	2	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:4:	2:2:3:	3:3:1:	C[6]-3:C[5a]-3:C[6]-4:	N[5a]-2:N[5a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH)	C[5a](N[5a]C[5a])(N[5a]O[5a])(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]HH){1|O<2>,3|C<3>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(C[6]C[6]2){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	122.3810	0.000	1	122.3810	0.000	1	122.3810	0.000	1	122.3810	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-4:	C[5a]-3:S[5a]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6]H)(C[6]C[6]HH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(H){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	122.1460	0.000	1	122.1460	0.000	1	122.1460	0.000	1	122.1460	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:C[6]-3:C[6]-4:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[5]-3:C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH)	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	129.5770	0.000	1	129.5770	0.000	1	129.5770	0.000	1	129.5770	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CuH)(C[6]C[6]H)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CuH)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(C[6]C[6]2){1|Cu<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|Cu<4>,1|N<2>,2|C<3>,2|H<1>}	119.7820	0.000	1	119.7820	0.000	1	120.6490	1.503	2	121.2825	1.104	4	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	121.5160	0.000	1	121.5160	0.000	1	120.6490	1.503	2	121.2825	1.104	4	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.5960	0.000	1	121.5960	0.000	1	121.5960	0.000	1	121.2825	1.104	4	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	122.2360	0.000	1	122.2360	0.000	1	122.2360	0.000	1	121.2825	1.104	4	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:2:3:	3:4:1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){3|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	121.0450	0.000	1	121.0450	0.000	1	121.0450	0.000	1	121.0590	0.130	3	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:2:3:	3:4:1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(C[6]C[6]2){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.4270	0.000	1	121.4270	0.000	1	121.4270	0.000	1	121.0590	0.130	3	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:2:3:	3:4:1:	C[5a]-3:C[6]-4:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]CH)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.7050	0.000	1	120.7050	0.000	1	120.7050	0.000	1	121.0590	0.130	3	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:2:3:	4:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[5,6]HH)(C[6]C[5,6]H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[5,6]HH)(C[6]C[5,6]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H){1|C<3>,1|S<2>,2|C<4>,6|H<1>}	121.7170	0.000	1	121.7170	0.000	1	121.7170	0.000	1	121.7170	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.9780	0.000	1	122.9780	0.000	1	122.9780	0.000	1	121.0037	3.782	4	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<5>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.3580	0.000	2	121.3580	0.000	2	120.3457	3.074	3	121.0037	3.782	4	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	N[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.3210	0.000	1	118.3210	0.000	1	120.3457	3.074	3	121.0037	3.782	4	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[5a]-3:C[6]-4:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	122.6890	0.000	1	122.6890	0.000	1	122.6890	0.000	1	122.6890	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6]C[6]2){3|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	4:3:3:	2:2:3:	3:2:3:	C[6]-4:C[5a]-3:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N)	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(O[6]C[6,6])(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[5a]N[5a]O[5a])(C[6]O[6]N){1|C<4>,1|N<2>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6])(NHH){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	119.0080	0.000	1	119.0080	0.000	1	119.0080	0.000	1	119.0080	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	4:3:3:	3:2:3:	3:3:1:	C[6]-4:C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TbO)(C[5a]N[5a]2)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]TbO)(C[5a]N[5a]2)(C[6]C[6]H){1|Br<1>,1|H<1>,1|O<3>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|Tb<12>,1|H<1>,1|O<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]Br)(H){1|Tb<12>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<3>}	121.1030	0.000	1	121.1030	0.000	1	121.1030	0.000	1	121.1030	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	0:SP2_SP2_SP2	C[6]	C[5a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[6]C[6]2){2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[5,6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	122.9010	0.000	1	122.9010	0.000	1	122.9010	0.000	1	122.9010	0.000	1	123.2757	8.916	1075	123.2165	9.032	1113
762	727	762	6:SP2_SP2_SP2	C[3x6]	C[5a,6]	C[3x6]	3:3:4:	3:3:2:	4:3:4:	C[3x6]-3:C[5a,6]-3:C[3x6]-4:	C[5a,6]-3:C[3x6]-3:S[5a]-2:	C[5,6,6]-4:C[3x6]-3:C[3x6]-4:	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H)	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(C[3x6]C[3x6]2)(S[5a]C[5a,6a])	C[3x6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3x6]C[5a,6]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(C[3x6]C[3x6]2)(S[5a]C[5a,6a]){1|H<1>,2|C<3>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3x6]C[5a,6]C[3x6])(C[3x6]C[6,6]2H){1|Cl<1>,1|C<3>,1|S<2>,5|C<4>,8|H<1>}	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6,6]	C[5a,6,6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6,6]-3:C[6]-3:C[6]-4:	C[5a,6]-3:C[5a,6]-3:C[6,6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[5a,6,6](C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2)	C[6](C[6,6]C[5a,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5a,6,6](C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5a,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	118.6420	0.000	1	118.6420	0.000	1	118.6420	0.000	1	118.6420	0.000	1	118.6420	0.000	1	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:N[5a,6]-3:C[5a]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O)	C[5a,6](C[6,6]C[6,6]C[6])(N[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[6,6]C[6,6]C[6])(N[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	119.3523	1.267	3	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6,6]	C[5a,6]	C[6,6]	3:3:4:	3:3:2:	3:3:4:	C[5a,6]-3:C[6,6]-3:C[6]-4:	N[5a,6]-3:C[6,6]-3:N[5a]-2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	119.3523	1.267	3	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6,6]	C[5a,6]	C[6,6]	3:4:3:	3:3:3:	3:4:4:	C[5a,6]-3:C[6,6]-4:C[6,6]-3:	C[5a,6,6a]-3:C[6,6]-3:C[5a]-3:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]2)(C[5a]N[5a]H)	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>,7|C<4>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]2)(C[5a]N[5a]H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|H<1>}	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	118.0560	0.000	1	119.3523	1.267	3	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6,6]-3:S[6]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|C<3>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a]){1|C<3>,1|C<4>,1|S<2>}	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a]){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	118.8070	0.000	1	118.8500	0.004	2	118.9090	0.006	4	118.9090	0.006	4	117.3613	7.695	15	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6,6]-3:S[6]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|C<3>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a]){1|C<3>,1|C<4>,1|S<2>}	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	118.8930	0.000	1	118.8500	0.004	2	118.9090	0.006	4	118.9090	0.006	4	117.3613	7.695	15	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6]-3:C[6,6]-3:S[6]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]N[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|N<3>,1|S<2>,3|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a]){1|C<3>,1|C<4>,1|S<2>}	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]N[6]){1|C<4>,1|S<2>,2|C<3>}	118.9680	0.000	2	118.9680	0.000	2	118.9090	0.006	4	118.9090	0.006	4	117.3613	7.695	15	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:2:	4:3:3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a])	C[6,6](C[6,6]C[6]2C)(C[6]C[5a,6]O)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5a,6]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	113.1420	0.000	1	113.1420	0.000	1	113.1420	0.000	1	113.1420	0.000	1	117.3613	7.695	15	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:2:	4:3:4:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]N[5a])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]N[5a]){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	117.4030	0.000	1	117.4030	0.000	1	117.4030	0.000	1	117.4030	0.000	1	117.3613	7.695	15	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]H)	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]H){2|H<1>,3|C<3>}	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	120.1790	0.000	1	120.1790	0.000	1	120.1790	0.000	1	115.8570	14.017	3	117.3613	7.695	15	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6]-3:C[6]-3:N[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(N[5a]C[5a]H)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(O){1|S<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,3|O<1>}	113.6960	0.122	2	113.6960	0.015	2	113.6960	0.015	2	115.8570	14.017	3	117.3613	7.695	15	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6]-3:C[6]-3:S[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]S[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5a,6]O)(S[6]C[6]OO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]S[6])(O){1|C<4>,2|N<3>,2|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5a,6]O)(S[6]C[6]OO){1|O<1>,2|H<1>,3|C<3>}	115.8780	0.284	2	115.8780	0.081	2	115.8780	0.081	2	115.8780	0.081	2	117.3613	7.695	15	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6,6]-4:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O)	C[6,6](C[6]C[5,6,6]O)(C[6,6]C[6]2H)(C[6]C[5a,6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|N<2>,3|C<4>,3|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[6,6](C[6]C[5,6,6]O)(C[6,6]C[6]2H)(C[6]C[5a,6]O){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	117.3613	7.695	15	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O)	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>,3|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	115.5760	0.000	1	115.5760	0.000	1	115.5760	0.000	1	115.5760	0.000	1	117.3613	7.695	15	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6]-3:C-2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	121.6165	0.185	2	121.6165	0.034	2	121.6165	0.034	2	121.6165	0.034	2	117.3613	7.695	15	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:2:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	116.7550	0.000	1	116.7550	0.000	1	116.7550	0.000	1	116.7550	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<1>}	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]O[5a]N[6])(O[5a]B[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6](C[5a,6]O[5a]N[6])(O[5a]B[5a])(C[6]C[6]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|O<2>}	116.7540	0.000	1	116.7540	0.000	1	116.7540	0.000	1	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]Co)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Co<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]Co)(H){1|C<3>,1|H<1>,1|O<2>}	115.9520	0.000	1	115.9520	0.000	1	115.5196	0.205	7	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]Cu)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Cu<5>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]Cu)(H){1|C<3>,1|H<1>,1|O<2>}	115.7590	0.000	1	115.7590	0.000	1	115.5196	0.205	7	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]Ir)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Ir<6>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]Ir)(H){1|O<2>,2|C<3>}	115.1120	0.133	3	115.1120	0.018	3	115.5196	0.205	7	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]Ni)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Ni<6>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]Ni)(H){1|C<3>,1|H<1>,1|O<2>}	115.7950	0.547	2	115.7950	0.300	2	115.5196	0.205	7	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]Ir)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]H)(H){1|Ir<6>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]Ir)(H){1|S<2>,2|C<3>}	116.8155	0.228	2	116.8155	0.052	2	116.8155	0.052	2	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]C)(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[5a,6]H)(H){1|C<3>,1|N<2>,1|N<3>}	117.5610	0.000	1	117.5610	0.000	1	118.0063	0.232	3	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	118.2290	0.407	2	118.2290	0.166	2	118.0063	0.232	3	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(H){4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.7120	0.000	1	119.7120	0.000	1	119.7120	0.000	1	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,5a]C[6])(N[5a]C[5a,5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,5a]C[6])(N[5a]C[5a,5a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.2660	0.000	1	120.2660	0.000	1	119.2762	1.021	5	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	118.9540	0.000	1	118.9540	0.000	1	119.2762	1.021	5	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|N<3>}	118.9000	0.000	1	118.9000	0.000	1	119.2762	1.021	5	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	117.9440	0.000	1	117.9440	0.000	1	119.2762	1.021	5	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]S[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]S[5a])(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.3170	0.000	1	120.3170	0.000	1	119.2762	1.021	5	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O){1|N<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O){1|N<2>,1|S<2>,2|C<3>}	117.3070	0.000	1	116.6160	0.481	3	116.6160	0.481	3	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O){1|N<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O){1|Si<4>,1|C<3>,1|O<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O){1|N<2>,1|S<2>,2|C<3>}	116.2705	0.496	2	116.6160	0.481	3	116.6160	0.481	3	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]C[5a])(S[5a]C[5a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]O)(O){1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(S[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]O)(O){1|S<2>,3|C<3>}	116.1813	0.163	4	116.1813	0.026	4	116.1813	0.026	4	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]C[5a])(S[5a]C[5a])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]O)(O){4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(S[5a]C[5a])(C[6]C[6]O){1|O<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	114.7000	0.000	1	114.7000	0.000	1	114.7000	0.000	1	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(O){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|S<2>}	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	116.9279	2.505	29	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:Cl-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:N[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]N[6])(Cl)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]Cl)	C[6](C[6]C[5a,6]Cl)(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]N[6])(Cl){1|C<4>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]Cl){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]Cl)(N[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	118.3020	0.000	1	118.3020	0.000	1	118.3020	0.000	1	116.2952	1.358	15	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]2)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]2)(O){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	114.4320	0.399	2	114.4320	0.159	2	114.4320	0.159	2	116.2952	1.358	15	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O){1|C<4>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|Cl<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	116.0570	0.000	1	116.0570	0.000	1	115.6505	0.330	2	116.2952	1.358	15	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	115.2440	0.000	1	115.2440	0.000	1	115.6505	0.330	2	116.2952	1.358	15	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O){1|C<4>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	116.4994	0.691	7	116.5961	0.646	10	116.5961	0.646	10	116.2952	1.358	15	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O){1|C<4>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	116.8217	1.169	3	116.5961	0.646	10	116.5961	0.646	10	116.2952	1.358	15	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	119.1380	6.027	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,1|O<2>}	117.4020	0.000	1	117.4020	0.000	1	117.4020	0.000	1	119.1380	6.027	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6,6])(H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6,6])(H){3|C<3>}	120.5200	0.000	1	120.5200	0.000	1	120.5200	0.000	1	117.8380	3.367	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|Ge<6>,1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	117.8380	3.367	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|C<2>,1|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.1560	0.000	1	117.1560	0.000	1	116.7620	0.310	2	117.8380	3.367	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H){1|C<2>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.3680	0.000	1	116.3680	0.000	1	116.7620	0.310	2	117.8380	3.367	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[6]-2:C-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]C)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6])(COO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[5a,6]H)(N[6]C[6])(COO){1|H<1>,1|N<3>,2|C<3>}	118.9085	0.125	2	118.9085	0.016	2	118.9085	0.016	2	118.9085	0.016	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6,6a]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6,6a]H)(H){1|B<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H){1|H<1>,2|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.1160	0.000	2	118.3128	0.097	6	118.1475	0.175	8	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.1730	0.000	1	118.3128	0.097	6	118.1475	0.175	8	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.4907	0.383	3	118.3128	0.097	6	118.1475	0.175	8	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.8590	0.000	1	117.6515	0.086	2	118.1475	0.175	8	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.4440	0.000	1	117.6515	0.086	2	118.1475	0.175	8	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6]2)(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	118.2090	0.000	1	118.2090	0.000	1	118.2090	0.000	1	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]H){1|Rh<5>,1|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Rh<5>,2|C<3>}	117.6930	0.000	1	117.6930	0.000	1	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Rh<5>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Rh<5>,2|C<3>}	118.4905	0.337	2	118.4905	0.114	2	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Fe<4>,2|Li<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Li<4>,2|C<3>}	117.8850	0.000	1	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	117.8060	0.047	2	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	117.6845	0.293	2	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<5>,1|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	117.9840	0.000	1	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Fe<4>,1|Li<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Li<4>,2|C<3>}	117.9260	0.000	1	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ir<6>,1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	118.2355	0.706	2	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ir<7>,1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ir<7>,2|C<3>}	117.9395	0.107	2	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Li<4>,1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Li<4>,2|C<3>}	117.6638	0.061	6	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	117.8122	0.362	5	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	117.8440	0.000	1	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	118.2134	0.507	5	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	117.0475	0.265	2	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	118.2358	0.757	15	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,1|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	117.7960	0.000	1	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	118.0816	0.459	7	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<5>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pt<5>,2|C<3>}	117.5535	0.322	2	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<6>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pt<6>,2|C<3>}	117.3450	0.379	2	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<4>,1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Rh<4>,2|C<3>}	118.2197	0.382	3	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<5>,1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|B<4>,2|C<3>}	117.9820	0.000	1	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<5>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Rh<5>,2|C<3>}	118.3850	0.943	2	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<6>,1|B<5>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|B<5>,2|C<3>}	118.2980	0.000	1	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<7>,1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Rh<7>,2|C<3>}	117.7103	0.265	9	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<8>,1|B<5>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Rh<8>,2|C<3>}	117.4035	0.175	4	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|B<5>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ru<7>,2|C<3>}	117.9068	0.370	10	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ru<7>,2|C<3>}	111.6930	0.000	1	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ru<7>,2|C<3>}	117.6757	0.131	4	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<8>,1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ru<8>,2|C<3>}	117.3405	0.240	2	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<8>,1|B<5>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ru<8>,2|C<3>}	117.2715	0.909	2	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<9>,1|B<5>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	118.1195	0.226	2	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<9>,1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	117.9260	0.000	1	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	118.6310	0.428	4	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|Cu<4>,1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	118.7080	1.112	3	117.8782	0.675	106	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C[5])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C[5])(C[6]C[6]H){1|Os<9>,1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	118.2420	0.000	1	118.2420	0.000	1	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){2|C<3>}	119.0120	0.000	1	119.0120	0.000	1	117.9011	0.665	111	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H){1|S<1>,2|C<3>}	118.0160	0.000	1	118.2213	0.033	3	118.2213	0.033	3	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,1|I<1>,1|N<3>,1|S<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H){1|S<1>,2|C<3>}	118.2940	0.000	1	118.2213	0.033	3	118.2213	0.033	3	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H){1|S<1>,2|C<3>}	118.3540	0.000	1	118.2213	0.033	3	118.2213	0.033	3	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	119.7160	0.424	2	119.7160	0.180	2	117.9138	2.844	5	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	117.1550	0.000	1	117.1550	0.000	1	117.9138	2.844	5	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Zn)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|Zn<5>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Zn)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	116.6880	0.000	1	116.6880	0.000	1	117.9138	2.844	5	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	116.2940	0.000	1	116.2940	0.000	1	117.9138	2.844	5	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H){1|N<3>,2|C<3>}	116.9920	0.000	1	116.9920	0.000	1	116.9920	0.000	1	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]Se[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]Se[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]Se[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]Se[6]H)(H){2|C<3>}	124.1830	0.000	1	124.1830	0.000	1	121.4045	15.440	2	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){2|C<3>}	118.6260	0.000	1	118.6260	0.000	1	121.4045	15.440	2	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]Ir)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(N[6]C[6]Ir)(H){3|C<3>}	117.4617	0.150	3	117.9022	0.264	6	118.0861	0.483	11	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]Ir)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]Ir)(H){3|C<3>}	118.3427	0.235	3	117.9022	0.264	6	118.0861	0.483	11	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]Pd)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]Pd)(H){3|C<3>}	117.7120	0.000	1	117.7120	0.000	1	118.0861	0.483	11	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]Re)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]Re)(H){1|H<1>,2|C<3>}	119.2575	0.227	2	118.7260	0.873	3	118.0861	0.483	11	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]Re)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]Re)(H){3|C<3>}	117.6630	0.000	1	118.7260	0.873	3	118.0861	0.483	11	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	117.6440	0.000	1	117.6440	0.000	1	118.0861	0.483	11	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.6340	0.000	1	118.6340	0.000	1	118.4200	0.207	3	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|B<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.7290	0.000	1	118.3130	0.346	2	118.4200	0.207	3	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.8970	0.000	1	118.3130	0.346	2	118.4200	0.207	3	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	119.1750	0.000	1	118.6292	0.359	13	118.6292	0.359	13	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	118.3175	0.441	2	118.6292	0.359	13	118.6292	0.359	13	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	118.6369	0.634	10	118.6292	0.359	13	118.6292	0.359	13	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]2)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	118.1330	0.000	1	118.1330	0.000	1	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]B)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]B)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	118.8540	0.000	1	118.8540	0.000	1	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	118.6470	0.000	1	118.5560	0.017	2	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	118.4650	0.000	1	118.5560	0.017	2	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	119.0330	0.470	2	119.0330	0.220	2	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	118.4790	0.000	1	119.2526	0.164	7	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,6|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	119.4847	0.324	3	119.2526	0.164	7	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	119.2455	0.090	2	119.2526	0.164	7	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	119.3440	0.000	1	119.2526	0.164	7	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	118.8510	0.143	2	118.8510	0.020	2	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	118.8080	0.000	1	118.8080	0.000	1	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	118.6650	0.000	1	118.6650	0.000	1	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]Se[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|Se<3>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,5a,6]Se[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	119.0020	0.000	1	119.0020	0.000	1	118.9506	0.177	18	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6,6a]H)(H)	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6,6a]H)(H){1|N<3>,2|C<3>}	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5,5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6,6a]H)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6,6a]H)(H){5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	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>}	120.3040	0.000	1	120.3715	0.009	2	120.3715	0.009	2	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	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>}	120.4390	0.000	1	120.3715	0.009	2	120.3715	0.009	2	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H)	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a,6]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a,6]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.9850	0.000	1	120.9850	0.000	1	119.8558	0.417	5	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.5735	0.156	4	119.5735	0.024	4	119.8558	0.417	5	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]F)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|N<3>}	120.0190	0.000	1	120.0190	0.000	1	119.7914	0.531	14	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.4140	0.000	1	120.4140	0.000	1	119.7914	0.531	14	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.7980	0.000	1	119.7980	0.000	1	119.7914	0.531	14	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.2640	0.560	6	119.8452	0.498	10	119.7914	0.531	14	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	118.7790	0.000	1	119.8452	0.498	10	119.7914	0.531	14	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Re<6>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3035	0.071	2	119.8452	0.498	10	119.7914	0.531	14	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.4820	0.000	1	119.8452	0.498	10	119.7914	0.531	14	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.3960	0.000	1	118.3960	0.000	1	119.7914	0.531	14	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]2)(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6]B[5,6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]2)(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6]B[5,6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.1075	0.182	2	118.1075	0.033	2	118.1075	0.033	2	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	116.4897	0.953	3	116.4897	0.908	3	117.2860	1.026	7	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.0690	0.547	3	117.8833	0.338	4	117.2860	1.026	7	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.3260	0.000	1	117.8833	0.338	4	117.2860	1.026	7	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5,5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5,5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.5705	0.173	2	117.5705	0.030	2	117.2980	0.164	4	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|O<1>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.0255	0.405	2	117.0255	0.164	2	117.2980	0.164	4	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|O<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	117.5455	0.448	2	117.2887	0.529	12	117.2887	0.529	12	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|F<1>,1|O<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	117.2370	0.106	2	117.2887	0.529	12	117.2887	0.529	12	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|I<1>,1|O<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	117.4190	2.256	2	117.2887	0.529	12	117.2887	0.529	12	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|O<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	117.1085	0.334	2	117.2887	0.529	12	117.2887	0.529	12	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	117.1330	0.338	2	117.2887	0.529	12	117.2887	0.529	12	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Si<4>,1|C<3>,1|O<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	117.2895	0.095	2	117.2887	0.529	12	117.2887	0.529	12	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]O)(O){4|C<3>}	114.4900	0.000	1	114.4900	0.000	1	115.5802	0.211	11	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O){1|C<4>,4|C<3>}	115.9942	0.129	4	115.9942	0.017	4	115.5802	0.211	11	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,4|C<3>}	115.2450	0.000	1	115.2450	0.000	1	115.5802	0.211	11	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(O){5|C<3>}	115.5370	0.000	1	115.5370	0.000	1	115.5802	0.211	11	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,4|C<3>}	115.7150	0.000	1	115.5333	0.022	4	115.5802	0.211	11	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,4|C<3>}	115.4727	0.104	3	115.5333	0.022	4	115.5802	0.211	11	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[5a,6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[5a,6]O)(H){6|C<3>}	114.7120	0.000	1	114.7120	0.000	1	114.2785	0.225	4	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H){2|C<3>,2|O<2>}	113.8790	0.185	2	113.8790	0.034	2	114.2785	0.225	4	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){2|C<3>,2|O<2>}	114.6440	0.000	1	114.6440	0.000	1	114.2785	0.225	4	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(N[6]C[6]C)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[5a,6]O)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Br)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(Br)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Br)(O){1|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|Br<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(Br){1|C<3>,1|N<3>,1|O<1>}	113.6800	0.000	1	113.6800	0.000	1	113.6800	0.000	1	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|H<1>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	114.3590	0.000	1	114.3590	0.000	1	113.8265	0.161	4	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(H){1|N<3>,1|O<1>,3|C<3>}	113.5680	0.259	2	113.5680	0.067	2	113.8265	0.161	4	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(H){1|N<3>,1|O<1>,3|C<3>}	113.8110	0.000	1	113.8110	0.000	1	113.8265	0.161	4	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(O){1|C<3>,2|N<3>}	113.6190	0.000	1	113.6190	0.000	1	114.0860	0.436	2	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]S)(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O){1|H<1>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]S)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(O){1|C<3>,2|N<3>}	114.5530	0.000	1	114.5530	0.000	1	114.0860	0.436	2	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(O){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O){1|C<3>,1|N<3>,1|O<1>}	114.1440	0.000	1	114.1440	0.000	1	114.1440	0.000	1	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	115.7390	0.000	1	115.7390	0.000	1	115.7390	0.000	1	117.8746	2.176	252	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6])(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	118.7590	5.568	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[5a,6]-3:C[6]-3:I-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:S[6]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]S[6])(I)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I)	C[6](C[6]C[5a,6]I)(C[6a]C[6a]2)(S[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]S[6])(I){2|C<3>,2|C<4>,2|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[5a,6]I)(C[6a]C[6a]2)(S[6]C[6]){1|N<3>,3|C<3>,4|H<1>}	119.4040	0.000	1	119.4040	0.000	1	119.4040	0.000	1	118.7590	5.568	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(OC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(O){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(OC){1|O<1>,2|C<3>}	116.1440	0.000	1	116.1440	0.000	1	116.1440	0.000	1	118.7590	5.568	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]N[6])(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]N[6])(N[6]C[6]Zn)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]N[6])(N[6]C[6]Zn){2|H<1>,4|C<3>}	117.3500	0.148	3	117.3500	0.022	3	117.3500	0.022	3	117.8325	0.946	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5,6]-3:C[6]-3:C-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5a,6]H)(CHO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5a,6]H)(CHO){6|C<3>}	119.2800	0.000	1	119.2800	0.000	1	119.2800	0.000	1	117.8325	0.946	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|N<3>,1|S<2>}	120.6670	0.222	2	120.7177	0.032	3	120.7177	0.032	3	118.0966	11.851	11	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,1|S<3>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|N<3>,1|S<3>}	120.8190	0.000	1	120.7177	0.032	3	120.7177	0.032	3	118.0966	11.851	11	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	121.0550	0.143	2	121.0550	0.020	2	121.0550	0.020	2	118.0966	11.851	11	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	120.4180	0.000	1	120.4180	0.000	1	120.4180	0.000	1	118.0966	11.851	11	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CF3)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CF3){1|C<3>,1|N<3>,1|O<1>}	114.2800	0.000	1	114.2800	0.000	1	112.9520	3.527	2	118.0966	11.851	11	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	111.6240	0.000	1	111.6240	0.000	1	112.9520	3.527	2	118.0966	11.851	11	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN){1|O<1>,2|C<3>}	117.2180	0.000	1	117.2180	0.000	1	117.2550	0.003	2	118.0966	11.851	11	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]Pd)(CHHN)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|Pd<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]Pd)(CHHN){1|O<1>,2|C<3>}	117.2920	0.000	1	117.2920	0.000	1	117.2550	0.003	2	118.0966	11.851	11	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:O-1:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(O)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(CF3)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(O){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(CF3){1|N<3>,1|O<1>,3|C<3>}	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	118.0966	11.851	11	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]HO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]HO)(H){1|H<1>,3|C<3>}	119.4970	0.000	1	119.4970	0.000	1	119.4970	0.000	1	118.6355	1.484	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	117.7740	0.000	1	117.7740	0.000	1	117.7740	0.000	1	118.6355	1.484	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(COO){1|C<4>,3|C<3>}	118.3130	0.000	1	118.3130	0.000	1	118.3130	0.000	1	116.1487	1.010	7	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CHH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CHH){2|C<3>,2|H<1>}	115.5720	0.000	1	115.5720	0.000	1	115.5720	0.000	1	116.1487	1.010	7	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[5a]H){1|C<3>,1|N<3>,2|H<1>}	115.8312	0.367	5	115.8312	0.135	5	115.8312	0.135	5	116.1487	1.010	7	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:4:4:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]CH)(CHHO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]CH)(CHHO){1|H<1>,1|N<3>,2|C<3>}	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]H)	C[6](C[6]C[6,6]SiH)(C[6]C[5a,6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]SiH)(C[6]C[5a,6]H)(H){1|C<4>,3|C<3>}	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	120.3090	2.970	5	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[6]C[6]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	120.3090	2.970	5	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5a,6]H)(H){1|N<3>,5|C<3>}	121.8840	0.379	2	121.8840	0.144	2	121.4723	0.580	3	120.3090	2.970	5	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){3|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.6490	0.000	1	120.6490	0.000	1	121.4723	0.580	3	120.3090	2.970	5	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O)	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CCH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,2|S<2>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CCH){2|C<3>,2|S<2>}	114.6580	0.000	1	114.6580	0.000	1	114.6580	0.000	1	114.6580	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:2:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:N-2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(NH)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]N)	C[6](C[6]C[5a,6]N)(N[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(NH){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[5a,6]N)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|S<2>}	115.5290	0.000	1	115.5290	0.000	1	115.5290	0.000	1	115.5290	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:2:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH){1|C<4>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	120.3880	0.000	1	119.9027	1.322	3	119.9027	1.322	3	119.9027	1.322	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:2:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH){1|C<4>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	119.6600	1.513	2	119.9027	1.322	3	119.9027	1.322	3	119.9027	1.322	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:2:	3:2:3:	3:3:4:	C[5a,6]-3:C[6]-3:C-2:	N[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3)	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>}	117.3530	0.000	1	117.3530	0.000	1	117.3530	0.000	1	117.3530	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC[6a])	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[6](C[6]C[5a,6]O)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC[6a]){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[5a,6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.4200	0.120	2	119.4200	0.014	2	119.4200	0.014	2	119.0743	0.366	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]H)(OC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]H)(OC){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	118.3830	0.000	1	118.3830	0.000	1	118.3830	0.000	1	119.0743	0.366	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:C-2:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(CC)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(CC){1|C<4>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C)(C[6]C[6]C){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(C[6a]C[6a]2){2|N<3>,3|H<1>,4|C<3>}	117.7410	0.000	1	117.7410	0.000	1	117.7410	0.000	1	117.7410	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO)	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]O[5a])(C[6]C[6]N)	C[6](C[6]C[5a,6]N)(C[6]C[6,6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]O[5a])(C[6]C[6]N){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]N)(C[6]C[6,6]N)(H){1|N<2>,1|N<3>,2|C<3>}	117.5960	0.000	1	117.5960	0.000	1	118.3395	1.106	2	118.3395	1.106	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	C[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	119.0830	0.000	1	119.0830	0.000	1	118.3395	1.106	2	118.3395	1.106	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:N-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:N-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO)	C[5a,6](N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])(C[6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO){1|C<3>,1|N<3>,2|N<2>}	C[5a,6](N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	121.2510	0.000	1	121.2510	0.000	1	121.2510	0.000	1	119.6310	5.249	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:N-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(NHH)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(NHH){1|N<2>,5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	119.6310	5.249	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:4:1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(COO)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]O[6]CC)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(COO){1|C<4>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]C)(C[6]O[6]CC)(H){1|C<3>,1|S<2>}	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:4:3:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<2>}	116.8550	0.000	1	116.8550	0.000	1	117.3990	0.592	2	117.3990	0.592	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:4:3:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(COO)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<2>}	117.9430	0.000	1	117.9430	0.000	1	117.3990	0.592	2	117.3990	0.592	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:C[6]-3:C-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a,6a])	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]C)(COO)	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.9940	0.000	1	117.9940	0.000	1	117.9940	0.000	1	117.9940	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[6a]C[6])(O[5a]C[5a,6a])	C[6](C[6]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[6a]C[6])(O[5a]C[5a,6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[6]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(H){1|O<2>,1|S<4>,5|C<3>}	114.2710	0.000	1	114.2710	0.000	1	114.2710	0.000	1	114.2710	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:4:4:	C[5a,6]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:C[6]-4:C-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a])	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]FF)(CH3)	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]FF)(CH3){1|N<2>,1|N<3>,2|C<3>,2|F<1>}	119.1635	0.547	2	119.1635	0.299	2	119.1635	0.299	2	119.1635	0.299	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:O[6]-2:N-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]N)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]N)(COO){1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H){1|N<2>,2|C<3>}	115.8565	0.339	2	115.8565	0.115	2	115.8565	0.115	2	115.8565	0.115	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:4:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]C)(CCO)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]C)(CCO){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3){1|N<2>,2|C<3>}	117.5190	0.000	1	117.5190	0.000	1	117.5190	0.000	1	117.5190	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	117.0690	0.144	2	117.0690	0.021	2	117.0690	0.021	2	117.4070	0.705	9	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	116.4330	0.000	1	116.4635	0.002	2	116.4635	0.002	2	117.4070	0.705	9	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|Ru<8>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	116.4940	0.000	1	116.4635	0.002	2	116.4635	0.002	2	117.4070	0.705	9	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|I<1>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	116.8310	0.000	1	116.8310	0.000	1	116.8310	0.000	1	117.4070	0.705	9	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	118.6780	0.000	1	118.6415	0.003	2	118.6415	0.003	2	117.4070	0.705	9	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	118.6050	0.000	1	118.6415	0.003	2	118.6415	0.003	2	117.4070	0.705	9	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]S)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]S)(H){1|C<4>,1|H<1>,4|C<3>}	117.7420	0.052	2	117.7420	0.003	2	117.7420	0.003	2	117.4070	0.705	9	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|Zn<5>,1|O<2>,5|C<3>}	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,7|C<3>}	117.8810	0.472	2	117.8810	0.223	2	117.8810	0.223	2	117.8810	0.223	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])2(C[6]C[5a,6]2)	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])2(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6]C[5a])2(C[6]C[5a,6]2){1|B<3>,2|H<1>,2|S<2>,6|C<3>}	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])2(C[6]C[5a,6]2){1|B<3>,2|H<1>,2|S<2>,6|C<3>}	121.1440	1.745	2	121.1440	3.046	2	121.1440	3.046	2	118.6995	4.531	13	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	118.6070	0.000	1	118.6070	0.000	1	118.6070	0.000	1	118.6995	4.531	13	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	119.4060	0.000	1	119.4060	0.000	1	119.4060	0.000	1	118.6995	4.531	13	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	118.3580	0.000	1	118.3580	0.000	1	118.3580	0.000	1	118.6995	4.531	13	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:C[6a]-3:	N[5a,6,6a]-3:C[6]-3:C[5a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.7830	0.000	1	120.7830	0.000	1	120.7830	0.000	1	118.6995	4.531	13	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6a]C[6])	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	118.4160	0.000	1	118.4160	0.000	1	118.4160	0.000	1	118.6995	4.531	13	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]H)(C[6]C[6a]C[6])	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]H)(C[6]C[6a]C[6]){1|N<3>,6|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.3150	0.000	1	120.3150	0.000	1	120.3150	0.000	1	118.6995	4.531	13	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:N[6,6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(C[5a]N[5a]H)	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	119.2600	0.000	1	119.2600	0.000	1	119.2600	0.000	1	118.6995	4.531	13	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO){1|C<3>,1|N<3>,2|N<2>}	113.7330	0.000	1	113.7330	0.000	1	113.7330	0.000	1	118.6995	4.531	13	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O){1|H<1>,7|C<3>}	116.5700	0.000	1	117.0035	0.376	2	117.0035	0.376	2	118.6995	4.531	13	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O){1|H<1>,7|C<3>}	117.4370	0.000	1	117.0035	0.376	2	117.0035	0.376	2	118.6995	4.531	13	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[5a,6]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a])(C[5a,6]N[5a,6]2)(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a])(C[5a,6]N[5a,6]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]C[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|N<3>,3|H<1>,5|C<3>}	117.9200	0.000	1	117.9200	0.000	1	117.9200	0.000	1	118.6995	4.531	13	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3){1|N<2>,4|C<3>}	121.3870	0.000	1	121.3870	0.000	1	121.3870	0.000	1	118.9955	2.545	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	118.2290	0.000	1	118.2290	0.000	1	118.2360	0.000	2	118.9955	2.545	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CH3)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CH3){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	118.2430	0.000	1	118.2430	0.000	1	118.2360	0.000	2	118.9955	2.545	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]C[6])	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C){1|N<2>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	118.1230	0.000	1	118.1230	0.000	1	118.1230	0.000	1	118.9955	2.545	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH){1|H<1>,1|N<3>,2|C<3>}	116.1960	0.000	1	116.1960	0.000	1	116.1960	0.000	1	116.1960	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6a]C[6])	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH)(COO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH)(COO){1|N<3>,2|H<1>,3|C<3>}	118.5360	0.000	1	118.5360	0.000	1	118.5360	0.000	1	118.5360	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C){1|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<1>}	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	117.2777	17.967	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3)	C[5a,6](C[5a,6]N[5a]N[6])(O[5a]C[5a])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(O[5a]C[5a])(C[6]C[6]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	117.2777	17.967	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CF3)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CF3){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.0250	0.000	1	120.0250	0.000	1	120.0250	0.000	1	117.2777	17.967	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:2:3:	3:4:3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|N<2>,2|H<1>}	115.8995	0.374	2	115.8995	0.140	2	115.8995	0.140	2	115.8995	0.140	2	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:2:1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:S[6]-2:S-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(S[6]C[6])(S)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3){1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|S<1>,1|S<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C)(S[6]C[6])(S){1|H<1>,2|C<3>}	121.9450	0.000	1	121.9450	0.000	1	121.9450	0.000	1	121.9450	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[6,6a]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3){1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H){1|N<2>,1|O<1>,3|C<3>}	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	116.7018	0.503	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]C){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[5a,6]H)(H){1|C<3>,1|N<2>,1|N<3>}	116.9430	0.000	1	116.9430	0.000	1	116.9430	0.000	1	116.7018	0.503	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3)	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	116.4610	0.000	1	116.4610	0.000	1	116.4610	0.000	1	116.7018	0.503	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	116.7018	0.503	4	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:Si-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C[6a])(SiC3)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]Si)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]Si)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C[6a])(SiC3){1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]Si){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]Si)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	117.9720	0.000	1	117.9720	0.000	1	117.9720	0.000	1	117.9720	0.000	1	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:C-4:	N[5a,6,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH)	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH)	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	118.2480	0.000	1	118.2480	0.000	1	118.2480	0.000	1	118.7937	0.725	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:C-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	118.7937	0.725	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:P-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]P)	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3){1|O<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]P){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	118.3580	0.000	1	118.3580	0.000	1	118.3580	0.000	1	118.7937	0.725	3	117.8054	2.901	407	117.8064	3.055	427
762	727	762	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	4:3:3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C)	C[6](C[6]C[6a]S[6]H)(C[6]C[5a,6]C)(COO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]S[6]H)(C[6]C[5a,6]C)(COO){4|C<3>}	120.5870	0.000	1	120.5870	0.000	1	120.5870	0.000	1	120.5870	0.000	1	117.8054	2.901	407	117.8064	3.055	427