941	643	940	0:SP2_SP-NON_SP2	N	C[6a]	P	3:2:	3:3:2:	2:2:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:	N(C[6a]C[6a]2)(PO)	C[6a](C[6a]C[6a]C)2(NP)	P(NC[6a])(OC)	N(C[6a]C[6a]2)(PO)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(NC[6a])(OC)	166.1890	0.000	1	166.1890	0.000	1	166.1890	0.000	1	170.2825	33.513	2	141.2707	590.233	6	141.2707	590.233	6
941	643	940	0:SP2_SP-NON_SP2	N	C[6a]	P	3:2:	3:3:2:	2:2:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:N-2:	N-2:S-2:	N(C[6a]C[6a]2)(PS)	C[6a](C[6a]C[6a]C)2(NP)	P(NC[6a])(SC[5])	N(C[6a]C[6a]2)(PS)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(NC[6a])(SC[5])	174.3760	0.000	1	174.3760	0.000	1	174.3760	0.000	1	170.2825	33.513	2	141.2707	590.233	6	141.2707	590.233	6
941	643	940	0:SP2_SP-NON_SP2	N	C[6a]	P	3:2:	3:3:2:	2:3:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:	N(C[6a]C[6a]2)(PN)	C[6a](C[6a]C[6a]2)2(NP)	P(NC[6a])(NSiN)	N(C[6a]C[6a]2)(PN)	C[6a](C[6a]C[6a]2)2(NP){2|H<1>,5|C<3>}	P(NC[6a])(NSiN)	125.7280	0.000	1	125.7280	0.000	1	125.7280	0.000	1	125.7280	0.000	1	141.2707	590.233	6	141.2707	590.233	6
941	643	940	0:SP2_SP-NON_SP2	N	C[6a]	P	3:2:	3:3:2:	3:2:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:	N(C[6a]C[6a]2)(PC[5])	C[6a](C[6a]C[6a]C)2(NP)	P(C[5]N[5]2)(NC[6a])	N(C[6a]C[6a]2)(PC[5])	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(C[5]N[5]2)(NC[6a])	129.5295	18.869	2	129.5295	356.045	2	129.5295	356.045	2	127.1103	195.579	3	141.2707	590.233	6	141.2707	590.233	6
941	643	940	0:SP2_SP-NON_SP2	N	C[6a]	P	3:2:	3:3:2:	3:2:	C[6a]-3:P-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(PN)	C[6a](C[6a]C[6a]C)2(NP)	P(NC[6a]Ge)(NC[6a])	N(C[6a]C[6a]2)(PN)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(NC[6a]Ge)(NC[6a])	122.2720	0.000	1	122.2720	0.000	1	122.2720	0.000	1	127.1103	195.579	3	141.2707	590.233	6	141.2707	590.233	6
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	2:3:	3:3:2:	6:2:	N-2:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	B[5x3,5x5,20x6]-6:N-2:	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(NC[6a])	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(NC[6a])	115.2320	0.000	1	115.2320	0.000	1	115.7970	0.886	5	115.1188	0.941	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	2:3:	3:3:2:	6:2:	N-2:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	B[5x3,5x5,20x6]-6:N-2:	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(NC[6a])	N(NB[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(NC[6a])	115.9383	1.024	4	115.9383	1.048	4	115.7970	0.886	5	115.1188	0.941	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	2:3:	3:3:2:	6:2:	N-2:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5x3,5x5,20x6]-6:N-2:	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|Br<1>,1|C<3>,1|H<1>}	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])	114.2120	0.000	1	114.4600	0.106	4	114.4406	0.082	5	115.1188	0.941	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	2:3:	3:3:2:	6:2:	N-2:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5x3,5x5,20x6]-6:N-2:	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|C<2>,1|C<3>,1|H<1>}	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])	114.2730	0.000	1	114.4600	0.106	4	114.4406	0.082	5	115.1188	0.941	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	2:3:	3:3:2:	6:2:	N-2:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5x3,5x5,20x6]-6:N-2:	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a])	114.6775	0.357	2	114.4600	0.106	4	114.4406	0.082	5	115.1188	0.941	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	2:3:	3:3:2:	6:2:	N-2:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5x3,5x5,20x6]-6:N-2:	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a])	N(NC[5x3,5x5,20x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a])	114.3630	0.000	1	114.3630	0.000	1	114.4406	0.082	5	115.1188	0.941	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	2:2:2:	2:1:	C[6a]-3:N-2:	N[6a]-2:N[6a]-2:N-2:	N-2:N-1:	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NN)	N(NC[6a])(N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N(NC[6a])(N)	113.3270	0.000	1	113.3270	0.000	1	113.6445	1.564	10	113.6445	1.564	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	2:2:2:	2:1:	C[6a]-3:N-2:	N[6a]-2:N[6a]-2:N-2:	N-2:N-1:	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN)	N(NC[6a])(N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN){1|C<3>,1|N<2>,1|N<3>}	N(NC[6a])(N)	114.1690	0.000	1	114.1690	0.000	1	113.6445	1.564	10	113.6445	1.564	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	2:2:2:	2:1:	C[6a]-3:N-2:	N[6a]-2:N[6a]-2:N-2:	N-2:N-1:	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[6a,6a])2(NN)	N(NC[6a])(N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[6a,6a])2(NN){1|N<3>,2|N<2>}	N(NC[6a])(N)	111.8420	0.000	1	111.8420	0.000	1	113.6445	1.564	10	113.6445	1.564	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	2:2:2:	2:1:	C[6a]-3:N-2:	N[6a]-2:N[6a]-2:N-2:	N-2:N-1:	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NN)	N(NC[6a])(N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NN){1|C<3>,1|N<3>}	N(NC[6a])(N)	113.0380	0.214	2	113.0380	0.046	2	113.6445	1.564	10	113.6445	1.564	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	2:2:2:	2:1:	C[6a]-3:N-2:	N[6a]-2:N[6a]-2:N-2:	N-2:N-1:	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[6a])2(NN)	N(NC[6a])(N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]C[6a])2(NN){1|N<3>,2|N<2>}	N(NC[6a])(N)	113.9605	0.210	2	113.9605	0.044	2	113.6445	1.564	10	113.6445	1.564	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	2:2:2:	2:1:	C[6a]-3:N-2:	N[6a]-2:N[6a]-2:N-2:	N-2:N-1:	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(NN)	N(NC[6a])(N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(NN){2|C<3>}	N(NC[6a])(N)	115.8030	0.000	1	115.8030	0.000	1	113.6445	1.564	10	113.6445	1.564	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	2:2:2:	2:1:	C[6a]-3:N-2:	N[6a]-2:N[6a]-2:N-2:	N-2:N-1:	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN)	N(NC[6a])(N)	N(C[6a]N[6a]2)(NN)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN){2|C<3>}	N(NC[6a])(N)	113.6535	2.184	2	113.6535	4.771	2	113.6445	1.564	10	113.6445	1.564	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	2:3:2:	2:1:	C[6a]-3:N-2:	N[6a]-2:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]N[6a])(NN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NN)	N(NC[6a])(N)	N(C[6a]C[6a]N[6a])(NN)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|N<2>,1|N<3>}	N(NC[6a])(N)	114.8730	0.000	1	114.8730	0.000	1	115.3771	1.574	16	115.3771	1.574	16	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	2:3:2:	2:1:	C[6a]-3:N-2:	N[6a]-2:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]N[6a])(NN)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]C)(NN)	N(NC[6a])(N)	N(C[6a]C[6a]N[6a])(NN)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]C)(NN){1|C<3>,1|N<2>,1|N<3>}	N(NC[6a])(N)	112.9610	0.000	1	112.9610	0.000	1	115.3771	1.574	16	115.3771	1.574	16	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	2:3:2:	2:1:	C[6a]-3:N-2:	N[6a]-2:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]N[6a])(NN)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(NN)	N(NC[6a])(N)	N(C[6a]C[6a]N[6a])(NN)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	N(NC[6a])(N)	115.5857	1.141	14	115.5857	1.301	14	115.3771	1.574	16	115.3771	1.574	16	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	2:3:2:	3:2:	C[6a]-3:N-2:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]N[6a])(NC[6a])	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(NC[6a])	113.1630	0.000	1	113.1630	0.000	1	113.3615	0.456	4	113.3615	0.456	4	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	2:3:2:	3:2:	C[6a]-3:N-2:	N[6a]-2:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]N[6a])(NC[6a])	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(NC[6a])	113.4277	0.811	3	113.4277	0.658	3	113.3615	0.456	4	113.3615	0.456	4	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:2:2:	2:1:	C[6a]-3:N-2:	C[5a,6a]-3:N[6a]-2:N-2:	N-2:N-1:	N(C[6a]C[5a,6a]N[6a])(NN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN)	N(NC[6a])(N)	N(C[6a]C[5a,6a]N[6a])(NN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN){1|C<3>,1|N<3>,2|N<2>}	N(NC[6a])(N)	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:2:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NN)	N(C[6a]C[6a]N[6a])(NC[6a])	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NN){1|C<4>,2|C<3>}	N(C[6a]C[6a]N[6a])(NC[6a])	112.8500	0.000	1	112.8500	0.000	1	113.0313	0.654	10	113.0313	0.654	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:2:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	112.7290	0.000	1	112.4558	0.138	5	113.0313	0.654	10	113.0313	0.654	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:2:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	112.3913	0.480	3	112.4558	0.138	5	113.0313	0.654	10	113.0313	0.654	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:2:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	112.3760	0.000	1	112.4558	0.138	5	113.0313	0.654	10	113.0313	0.654	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:2:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N(C[6a]C[6a]N[6a])(NC[6a])	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	114.3860	0.000	1	113.7960	0.435	4	113.0313	0.654	10	113.0313	0.654	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:2:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN)	N(C[6a]C[6a]N[6a])(NC[6a])	N(C[6a]C[6a]N[6a])(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	113.5993	0.649	3	113.7960	0.435	4	113.0313	0.654	10	113.0313	0.654	10	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[5a,6a]C[6a])(NN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NN)	N(NC[6a])(N)	N(C[6a]C[5a,6a]C[6a])(NN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NN){2|N<2>,2|N<3>}	N(NC[6a])(N)	115.0470	0.000	1	115.0470	0.000	1	115.0470	0.000	1	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a,6a]C[6a])(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	N(NC[6a])(N)	N(C[6a]C[6a,6a]C[6a])(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N(NC[6a])(N)	114.1050	0.000	1	114.1050	0.000	1	114.1050	0.000	1	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	N(NC[6a])(N)	115.9300	0.000	1	115.9300	0.000	1	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)2(NN){2|H<1>,5|C<3>}	N(NC[6a])(N)	122.1410	0.000	1	122.1410	0.000	1	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|Br<1>,1|C<3>,1|H<1>}	N(NC[6a])(N)	115.3680	0.320	4	115.3680	0.102	4	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Br)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Br)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(N)	116.4300	0.000	1	116.4300	0.000	1	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(NC[6a])(N)	115.9228	1.024	6	116.1066	1.109	7	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|Cl<1>,1|C<3>,1|H<1>}	N(NC[6a])(N)	117.2090	0.000	1	116.1066	1.109	7	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(N)	118.3997	1.534	6	118.3997	2.353	6	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NN){1|C<4>,2|C<3>,2|H<1>}	N(NC[6a])(N)	117.9460	0.000	1	117.9460	0.000	1	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Cl)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(N)	119.4870	0.000	1	119.4870	0.000	1	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	N(NC[6a])(N)	118.7097	1.269	8	118.7097	1.609	8	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(NC[6a])(N)	116.0807	1.139	3	116.0807	1.297	3	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|H<1>,1|O<2>}	N(NC[6a])(N)	115.5150	0.153	2	115.5150	0.023	2	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|N<3>}	N(NC[6a])(N)	116.3305	0.527	2	116.0963	0.956	33	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|S<4>}	N(NC[6a])(N)	116.6140	0.000	1	116.0963	0.956	33	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|C<4>}	N(NC[6a])(N)	117.4020	1.788	2	116.0963	0.956	33	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(N)	115.9204	0.869	23	116.0963	0.956	33	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|N<3>}	N(NC[6a])(N)	116.7620	0.000	1	116.0963	0.956	33	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	N(NC[6a])(N)	116.0418	1.358	4	116.0963	0.956	33	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]N)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]N)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(N)	123.1300	0.000	1	120.9270	9.706	2	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]N)2(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]N)2(NN){1|C<3>,2|N<2>}	N(NC[6a])(N)	118.7240	0.000	1	120.9270	9.706	2	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:1:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NN)	N(NC[6a])(N)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NN){2|C<3>,3|N<2>}	N(NC[6a])(N)	117.8265	0.064	2	117.8265	0.004	2	116.8637	3.155	72	116.8018	3.215	74	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	N(NC[6a])2	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	N(NC[6a])2	115.6970	0.000	1	115.6970	0.000	1	114.3320	11.407	31	114.3320	11.407	31	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)2(NN)	N(NC[6a])2	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)2(NN){2|H<1>,5|C<3>}	N(NC[6a])2	115.8813	4.759	7	115.8813	22.647	7	114.3320	11.407	31	114.3320	11.407	31	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN)	N(NC[6a])(NP)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(NP)	111.1860	0.000	1	111.1860	0.000	1	114.3320	11.407	31	114.3320	11.407	31	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN)	N(NC[6a])2	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(NC[6a])2	115.6699	3.107	11	115.6699	9.654	11	114.3320	11.407	31	114.3320	11.407	31	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	N(NC[6a])2	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(NC[6a])2	111.2322	0.527	4	111.2322	0.277	4	114.3320	11.407	31	114.3320	11.407	31	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(NC[5])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|N<3>}	N(NC[6a])(NC[5])	111.8150	0.068	2	112.5010	0.396	6	114.3320	11.407	31	114.3320	11.407	31	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(NC[5])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(NC[5])	112.8440	0.434	4	112.5010	0.396	6	114.3320	11.407	31	114.3320	11.407	31	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(NP)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(NP)	113.9360	0.000	1	113.9360	0.000	1	114.3320	11.407	31	114.3320	11.407	31	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:N-3:	N(C[6a]C[6a,6a]C[6a])(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NN)	N(NC[6a])(NCC)	N(C[6a]C[6a,6a]C[6a])(NN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NN){2|H<1>,5|C<3>}	N(NC[6a])(NCC)	111.0810	0.000	1	111.0810	0.000	1	111.0810	0.000	1	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Br)2(NN)	N(NC[6a])(CCC)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Br)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(CCC)	116.3010	0.000	1	116.3010	0.000	1	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)2(NN)	N(NC[6a])(CCN)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(CCN)	118.0440	0.000	1	118.0440	0.000	1	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)2(NN)	N(NC[6a])(CNN)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(CNN)	117.5510	0.000	1	117.5510	0.000	1	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	N(NC[6a])(CCC)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(NC[6a])(CCC)	113.7780	0.000	1	113.7780	0.000	1	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN)	N(NC[6a])(CNS)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(NC[6a])(CNS)	113.2535	0.175	2	113.2535	0.031	2	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(NC[6a])(CCC)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(NC[6a])(CCC)	118.0485	1.535	2	118.0485	2.357	2	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(NC[6a])(CCC)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	N(NC[6a])(CCC)	111.8870	0.000	1	112.5580	0.900	2	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(NC[6a])(CCC)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|Cl<1>,1|C<3>,1|H<1>}	N(NC[6a])(CCC)	113.2290	0.000	1	112.5580	0.900	2	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(NC[6a])(CCN)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	N(NC[6a])(CCN)	117.1090	0.000	1	117.1090	0.000	1	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(NC[6a])(CNN)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	N(NC[6a])(CNN)	115.3440	0.000	1	115.3440	0.000	1	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	N(NC[6a])(CNN)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	N(NC[6a])(CNN)	115.0540	0.000	1	115.0540	0.000	1	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(CCC)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(CCC)	114.4913	2.105	6	114.4913	4.430	6	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(CCH)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(CCH)	113.3635	0.330	2	113.3635	0.109	2	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(CNN)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(CNN)	115.2300	0.000	1	115.2300	0.000	1	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(CNS)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(CNS)	114.0675	0.265	2	114.0675	0.070	2	114.9142	4.099	24	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	N(NC[6a])(NCC)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){1|N<3>,2|C<3>,2|H<1>}	N(NC[6a])(NCC)	113.3940	0.000	1	113.3940	0.000	1	112.0988	2.547	10	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN)	N(NC[6a])(NCC)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(NCC)	111.4002	0.816	5	111.4002	0.666	5	112.0988	2.547	10	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN)	N(NC[6a])(NZrP)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(NZrP)	115.3970	0.000	1	115.3970	0.000	1	112.0988	2.547	10	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(NCC)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<2>,1|C<3>,1|H<1>}	N(NC[6a])(NCC)	111.2660	1.885	2	111.2660	3.554	2	112.0988	2.547	10	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(NCP)	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(NCP)	112.6640	0.000	1	112.6640	0.000	1	112.0988	2.547	10	114.0003	5.351	35	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:4:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(NC[6a])(CCCN)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(NC[6a])(CCCN)	114.9920	0.000	1	114.9920	0.000	1	113.7313	1.783	8	113.7313	1.783	8	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:4:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(CC3)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(CC3)	113.6486	1.451	5	113.4220	1.993	6	113.7313	1.783	8	113.7313	1.783	8	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:4:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(CC3)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	N(NC[6a])(CC3)	112.2890	0.000	1	113.4220	1.993	6	113.7313	1.783	8	113.7313	1.783	8	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	2:4:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a])(CCCH)	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NC[6a])(CCCH)	114.3260	0.000	1	114.3260	0.000	1	113.7313	1.783	8	113.7313	1.783	8	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[5,6a]C[6a])(NC[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[5,6a]C[6a])(NC[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(NN){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC[6a])	117.8430	6.080	2	117.8430	36.963	2	116.2583	26.015	3	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[5,6a]C[6a])(NC[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NN)	N(C[6a]C[5,6a]C[6a])(NC[6a])	N(C[6a]C[5,6a]C[6a])(NC[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NN){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(NC[6a])	113.0890	0.000	1	113.0890	0.000	1	116.2583	26.015	3	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[5a,6a]C[6a])(NC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[5a,6a]C[6a])(NC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	116.0340	0.000	1	116.0340	0.000	1	114.2245	6.549	2	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[5a,6a]C[6a])(NC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[5a,6a]C[6a])(NC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(NN){2|H<1>,2|N<2>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	112.4150	0.000	1	112.4150	0.000	1	114.2245	6.549	2	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6,6a]C[6a])(NC[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(NN)	N(C[6a]C[6,6a]C[6a])(NC[6a])	N(C[6a]C[6,6a]C[6a])(NC[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(NC[6a])	114.3140	0.000	1	114.3140	0.000	1	114.3140	0.000	1	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(NC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	N(C[5]N[5]2)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(NC[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	N(C[5]N[5]2)(NC[6a])	114.9290	0.894	2	114.9290	0.799	2	114.9290	0.799	2	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(NC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	N(C[5a]N[5a]2)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(NC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	N(C[5a]N[5a]2)(NC[6a])	114.1430	0.000	1	114.1430	0.000	1	116.1743	8.175	3	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(NC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	N(C[5a]C[5a,6a]C[5a])(NC[6a])	N(C[6a]C[6a,6a]C[6a])(NC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	N(C[5a]C[5a,6a]C[5a])(NC[6a])	119.4440	0.000	1	119.4440	0.000	1	116.1743	8.175	3	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(NC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	N(C[5a]C[5a]N[5a])(NC[6a])	N(C[6a]C[6a,6a]C[6a])(NC[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	N(C[5a]C[5a]N[5a])(NC[6a])	114.9360	0.000	1	114.9360	0.000	1	116.1743	8.175	3	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(NC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	N(C[6]C[6]2)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(NC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	N(C[6]C[6]2)(NC[6a])	115.9090	0.000	1	115.9090	0.000	1	115.9090	0.000	1	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(NN){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	115.1550	0.000	1	115.1550	0.000	1	115.0155	1.982	17	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NN)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NN){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	118.1060	0.000	1	118.1060	0.000	1	115.0155	1.982	17	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	115.1540	0.000	1	115.1540	0.000	1	115.0155	1.982	17	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	114.4340	0.086	2	114.3514	1.867	9	115.0155	1.982	17	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	112.7435	0.749	2	114.3514	1.867	9	115.0155	1.982	17	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	114.9616	1.353	5	114.3514	1.867	9	115.0155	1.982	17	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a,6a]C[6a])(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NN){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	115.5372	0.681	5	115.5372	0.464	5	115.0155	1.982	17	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	N(CC[5]H)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){2|H<1>,3|C<3>}	N(CC[5]H)(NC[6a])	113.9750	0.000	1	113.9750	0.000	1	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	N(CC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a])	119.0620	0.000	1	119.0620	0.000	1	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(CC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]2)(NC[6a])	119.9700	0.215	2	119.9700	0.046	2	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)2(NN)	N(CC[5]N)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(CC[5]N)(NC[6a])	113.1610	0.000	1	113.1610	0.000	1	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)2(NN)	N(CC[5]N)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	N(CC[5]N)(NC[6a])	110.3600	0.000	1	110.3600	0.000	1	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]F)2(NN)	N(CC[6a]O)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	N(CC[6a]O)(NC[6a])	113.7250	0.000	1	113.7250	0.000	1	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(CC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a])	118.5700	0.845	3	118.5700	0.714	3	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[5]C)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[5]C)(NC[6a])	113.2320	0.000	1	113.2320	0.000	1	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[5]H)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[5]H)(NC[6a])	113.3320	0.000	1	113.3320	0.000	1	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[5]N)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[5]N)(NC[6a])	114.3700	0.000	1	114.3700	0.000	1	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[5a]2)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[5a]2)(NC[6a])	115.3200	0.000	1	115.3200	0.000	1	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[5a]N)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[5a]N)(NC[6a])	121.3380	0.000	1	121.3380	0.000	1	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[5a]O)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[5a]O)(NC[6a])	114.6590	0.000	1	114.6590	0.000	1	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|C<4>}	N(CC[6a]C)(NC[6a])	113.1120	0.000	1	112.9788	0.720	13	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[6a]C)(NC[6a])	112.9678	0.885	12	112.9788	0.720	13	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6a])	119.4820	0.000	1	119.4820	0.000	1	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[6a]N)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[6a]N)(NC[6a])	113.9936	3.403	5	113.9936	11.579	5	114.7531	9.146	35	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]C)2(NN)	N(C[5]N[5]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|C<4>}	N(C[5]N[5]2)(NC[6a])	112.6197	0.663	3	114.3786	6.326	5	113.4509	7.808	18	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]C)2(NN)	N(C[5]N[5]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(C[5]N[5]2)(NC[6a])	117.0170	1.106	2	114.3786	6.326	5	113.4509	7.808	18	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5]C[5]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5]C[5]2)(NC[6a])	112.2870	0.000	1	112.2870	0.000	1	113.4509	7.808	18	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5]C[5]N[5])(NC[6a])	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5]C[5]N[5])(NC[6a])	115.4100	0.000	1	115.4100	0.000	1	113.4509	7.808	18	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5]N[5]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5]N[5]2)(NC[6a])	112.5241	3.275	9	112.9569	9.524	11	113.4509	7.808	18	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5]N[5]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	N(C[5]N[5]2)(NC[6a])	114.9045	0.425	2	112.9569	9.524	11	113.4509	7.808	18	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN)	N(C[5a]N[5a]S[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(NC[6a])	116.2570	0.000	1	116.2570	0.000	1	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	N(C[5a]C[5a,6a]C[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(NC[6a])	113.5360	0.000	1	113.5360	0.000	1	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(C[5a]C[5a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(NC[6a])	112.9530	0.000	1	112.9530	0.000	1	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]C)2(NN)	N(C[5a]C[5a,6a]N[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(NC[6a])	116.1997	0.255	3	116.1997	0.065	3	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN)	N(C[5a]C[5a,6a]C[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(NC[6a])	112.4475	0.518	2	112.4475	0.269	2	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[5a]C[5a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(NC[6a])	113.2130	0.721	2	113.2130	0.520	2	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(C[5a]C[5a,6a]C[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(NC[6a])	115.3930	0.000	1	115.3930	0.000	1	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(C[5a]C[5a]N[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(NC[6a])	114.9263	1.254	3	114.9263	1.572	3	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	N(C[5a]C[5a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(NC[6a])	114.9440	0.000	1	114.9440	0.000	1	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN)	N(C[5a]N[5a]S[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN){1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(NC[6a])	117.2530	0.000	1	117.2530	0.000	1	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5a]C[5a,6a]C[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(NC[6a])	113.1640	0.479	3	113.1640	0.230	3	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5a]C[5a,6a]N[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(NC[6a])	114.1560	0.000	1	114.1560	0.000	1	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5a]C[5a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(NC[6a])	115.4892	3.862	8	115.4892	14.917	8	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5a]C[5a]N[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(NC[6a])	114.2386	0.865	27	114.2386	0.749	27	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5a]C[5a]S[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(NC[6a])	114.1490	1.037	4	114.1490	1.076	4	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5a]N[5a,5a]C[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5a]N[5a,5a]C[5a])(NC[6a])	113.8970	0.614	5	113.8970	0.377	5	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5a]N[5a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]N[5a]2)(NC[6a])	115.3465	1.114	2	113.0203	22.175	10	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5a]N[5a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5a]N[5a]2)(NC[6a])	111.5433	5.754	6	113.0203	22.175	10	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5a]N[5a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	N(C[5a]N[5a]2)(NC[6a])	115.1250	0.018	2	113.0203	22.175	10	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5a]N[5a]S[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(NC[6a])	114.6400	0.000	1	114.6400	0.000	1	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]S)2(NN)	N(C[5a]C[5a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]S)2(NN){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(NC[6a])	115.6850	0.000	1	115.6850	0.000	1	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	N(C[5a]N[5a]S[5a])(NC[6a])	N(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	N(C[5a]N[5a]S[5a])(NC[6a])	118.2890	0.000	1	118.2890	0.000	1	114.3109	5.540	77	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	N(C[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NC[6a])	120.3910	0.000	1	120.3910	0.000	1	114.8781	10.678	39	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(C[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NC[6a])	112.2750	0.000	1	112.2750	0.000	1	114.8781	10.678	39	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	N(C[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NC[6a])	112.8570	1.700	2	112.8570	2.890	2	114.8781	10.678	39	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Cl)2(NN)	N(C[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NC[6a])	109.5050	0.000	1	109.5050	0.000	1	114.8781	10.678	39	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Cl)2(NN)	N(C[6]C[6]N[6])(NC[6a])	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(NC[6a])	112.2940	0.000	1	112.2940	0.000	1	114.8781	10.678	39	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6]C[6,6a]C[6])(NC[6a])	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(NC[6a])	119.8117	1.526	3	119.8117	2.329	3	114.8781	10.678	39	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(NC[6a])	113.8470	0.000	1	114.6707	9.337	27	114.8781	10.678	39	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[6]C[6]2)(NC[6a])	114.1989	1.429	20	114.6707	9.337	27	114.8781	10.678	39	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(NC[6a])	112.9635	0.252	2	114.6707	9.337	27	114.8781	10.678	39	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|N<2>,2|H<1>}	N(C[6]C[6]2)(NC[6a])	118.0888	6.981	4	114.6707	9.337	27	114.8781	10.678	39	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6]C[6]N[6])(NC[6a])	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(NC[6a])	114.8413	0.441	3	114.8413	0.195	3	114.8781	10.678	39	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])2(NN){1|C<3>,2|C<6>,2|H<1>,8|B<6>}	N(C[6a]C[6a]2)(NC[6a])	114.3870	0.000	1	114.3870	0.000	1	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	113.2800	0.000	1	113.2800	0.000	1	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.5310	0.694	2	114.8803	1.511	3	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	113.5790	0.000	1	114.8803	1.511	3	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	113.4900	0.703	2	113.4150	0.264	3	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NN){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NC[6a])	113.2650	0.000	1	113.4150	0.264	3	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.6550	0.352	4	115.6550	0.124	4	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(NN){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	119.4808	3.343	12	119.4808	11.179	12	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.2760	0.000	1	113.2760	0.000	1	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)2(NN)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Br)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	114.9810	0.000	1	114.9810	0.000	1	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(NC[6a])	114.2720	0.880	2	114.3040	4.190	34	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.2437	2.111	31	114.3040	4.190	34	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	116.2390	0.000	1	114.3040	4.190	34	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.1616	1.634	10	114.1616	2.668	10	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.2760	0.000	1	113.2760	0.000	1	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.4290	0.000	1	113.4561	1.448	14	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	112.4447	1.243	3	113.4561	1.448	14	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.7348	1.163	9	113.4561	1.448	14	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.0100	0.000	1	113.4561	1.448	14	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(NC[6a])	111.0880	0.000	1	115.6550	25.100	10	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Cl)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	116.1624	5.034	9	115.6550	25.100	10	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.2420	0.217	4	113.2420	0.047	4	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(NC[6a])	118.0373	4.029	46	117.9058	15.948	48	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.8825	0.349	2	117.9058	15.948	48	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]C)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.3485	0.313	2	115.3485	0.098	2	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.7523	0.614	3	114.7523	0.377	3	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.7080	0.000	1	114.6538	3.112	12	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.7398	1.824	11	114.6538	3.112	12	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]N[6a])(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	115.7180	0.000	1	115.7180	0.000	1	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	117.1410	0.000	1	116.1820	1.839	2	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	115.2230	0.000	1	116.1820	1.839	2	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	116.1677	4.408	11	115.3200	6.565	36	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	115.9680	0.000	1	115.3200	6.565	36	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC[6a])	116.1665	0.442	2	115.3200	6.565	36	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.7210	1.009	19	115.3200	6.565	36	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.5250	0.000	1	115.3200	6.565	36	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	115.0750	0.503	2	115.3200	6.565	36	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.4303	0.890	7	114.4303	0.793	7	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	114.0730	0.000	1	114.0730	0.000	1	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.0332	1.625	11	114.0332	2.641	11	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.3816	0.667	15	113.3816	0.445	15	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	117.9995	0.067	2	117.9995	0.005	2	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[5,6a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|C<4>}	N(C[6a]C[5,6a]C[6a])(NC[6a])	123.7740	0.000	1	118.3385	59.089	2	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[5,6a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){3|C<3>}	N(C[6a]C[5,6a]C[6a])(NC[6a])	112.9030	0.000	1	118.3385	59.089	2	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[5a,6a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(NC[6a])	114.9365	0.081	2	114.9365	0.007	2	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a,6a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])	114.2226	1.468	11	114.2226	2.155	11	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6a])	113.3620	2.150	2	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	112.7850	0.000	1	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.2033	0.528	3	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.6677	2.859	35	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.7280	0.000	1	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])	111.6330	0.000	1	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])	114.5697	1.566	3	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(NC[6a])	112.7800	0.000	1	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(NC[6a])	113.9170	0.000	1	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(NC[6a])	113.5860	0.000	1	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC[6a])	114.1084	0.901	7	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.2779	2.901	509	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	112.9870	0.593	4	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	113.7646	1.691	52	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	112.9109	1.349	89	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])	114.7244	0.981	10	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.7557	0.899	3	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	113.7780	0.319	3	113.3246	6.832	726	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]N[6a])(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a])	114.7818	0.850	4	114.7818	0.723	4	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NN){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NC[6a])	115.5080	0.000	1	115.5080	0.000	1	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	111.4567	1.459	4	111.4567	2.128	4	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N[6])2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N[6])2(NN){1|C<3>,2|F<1>,4|C<4>}	N(C[6a]C[6a]2)(NC[6a])	113.9440	1.828	4	113.9440	3.342	4	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN){1|C<2>,3|C<3>}	N(C[6a]C[6a]2)(NC[6a])	115.2270	0.000	1	114.5838	1.080	5	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NN){4|C<3>}	N(C[6a]C[6a]2)(NC[6a])	114.4230	1.126	4	114.5838	1.080	5	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])	113.1000	0.000	1	113.1000	0.000	1	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]O)2(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]O)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.7426	2.079	5	114.7426	4.324	5	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.5630	0.300	2	114.5630	0.090	2	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	114.1355	0.141	2	114.1355	0.020	2	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.3092	3.740	20	115.3092	13.990	20	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])	115.0260	0.906	9	115.0260	0.821	9	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(NN){1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(NC[6a])	118.2645	1.046	2	118.2645	1.094	2	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	N(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC[6a])	120.5138	0.447	4	120.5138	0.200	4	113.9429	8.504	1043	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)2(NN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]2)2(NN){2|H<1>,5|C<3>}	N(NC[6a]H)(NC[6a])	114.0190	0.000	1	114.0190	0.000	1	113.3049	1.241	24	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a])	112.9780	0.000	1	112.9780	0.000	1	113.3049	1.241	24	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a])	113.1917	0.735	3	113.1917	0.541	3	113.3049	1.241	24	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a])	112.0260	0.000	1	112.0260	0.000	1	113.3049	1.241	24	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN)	N(NC[6a]Pd)(NC[6a])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(NC[6a]Pd)(NC[6a])	113.0170	0.000	1	113.0170	0.000	1	113.3049	1.241	24	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)2(NN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	N(NC[6a]H)(NC[6a])	112.1840	0.000	1	112.1840	0.000	1	113.3049	1.241	24	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)2(NN)	N(NC[6a]Os)(NC[6a])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)2(NN){1|C<3>,2|F<1>}	N(NC[6a]Os)(NC[6a])	114.3560	0.000	1	114.3560	0.000	1	113.3049	1.241	24	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a])	114.8772	0.955	5	114.8772	0.912	5	113.3049	1.241	24	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NB[6]B)(NC[6a])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NB[6]B)(NC[6a])	112.6550	0.000	1	112.6550	0.000	1	113.3049	1.241	24	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,1|H<1>,1|N<3>}	N(NC[6a]H)(NC[6a])	112.7045	1.216	2	112.6801	0.347	9	113.3049	1.241	24	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(NC[6a]H)(NC[6a])	112.6072	0.473	6	112.6801	0.347	9	113.3049	1.241	24	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN)	N(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(NN){2|Cl<1>,1|C<3>}	N(NC[6a]H)(NC[6a])	113.0690	0.000	1	112.6801	0.347	9	113.3049	1.241	24	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N-2:	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]C)2(NN)	N(N[5]B[5]P[5])(NC[6a])	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]C)2(NN){1|C<3>,2|H<1>}	N(N[5]B[5]P[5])(NC[6a])	115.2160	0.000	1	115.2160	0.000	1	112.4787	3.384	4	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N-2:	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(N[5]C[5]2)(NC[6a])	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(NC[6a])	111.6550	0.000	1	111.6550	0.000	1	112.4787	3.384	4	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N-2:	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]H)2(NN)	N(N[5]B[5]P[5])(NC[6a])	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(N[5]B[5]P[5])(NC[6a])	111.7970	0.000	1	111.7970	0.000	1	112.4787	3.384	4	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N[5]-3:N-2:	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]H)2(NN)	N(N[5]C[5]2)(NC[6a])	N(C[6a]C[6a]2)(NN[5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(N[5]C[5]2)(NC[6a])	111.2470	0.000	1	111.2470	0.000	1	112.4787	3.384	4	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N-2:	N(C[6a]C[6a]2)(NN[6])	C[6a](C[6a]C[6a]H)2(NN)	N(N[6]C[6]2)(NC[6a])	N(C[6a]C[6a]2)(NN[6])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(N[6]C[6]2)(NC[6a])	112.7903	0.626	3	112.7903	0.392	3	112.7903	0.392	3	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N[6a]-3:N-2:	N(C[6a]C[6a]2)(NN[6a])	C[6a](C[6a]C[6a]H)2(NN)	N(N[6a]C[6a,6a]B[6a])(NC[6a])	N(C[6a]C[6a]2)(NN[6a])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(N[6a]C[6a,6a]B[6a])(NC[6a])	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	114.0174	8.196	1273	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	4:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[5]CC)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[5]CC)(NC[6a])	115.4620	0.000	1	115.4620	0.000	1	114.5074	0.692	7	114.0418	2.222	9	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	4:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[6]CC)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[6]CC)(NC[6a])	115.8220	0.000	1	115.8220	0.000	1	114.5074	0.692	7	114.0418	2.222	9	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	4:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[6a]CH)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[6a]CH)(NC[6a])	113.9665	0.295	2	113.9665	0.087	2	114.5074	0.692	7	114.0418	2.222	9	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	4:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[6a]CS)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(CC[6a]CS)(NC[6a])	113.8805	0.217	2	114.1117	0.184	3	114.5074	0.692	7	114.0418	2.222	9	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	4:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C-4:N-2:	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN)	N(CC[6a]CS)(NC[6a])	N(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(NN){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[6a]CS)(NC[6a])	114.5740	0.000	1	114.1117	0.184	3	114.5074	0.692	7	114.0418	2.222	9	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	4:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[5,5]-4:N-2:	N(C[6a]C[6a]2)(NC[5,5])	C[6a](C[6a]C[6a]H)2(NN)	N(C[5,5]C[5,6a]C[5,5]C[5])(NC[6a])	N(C[6a]C[6a]2)(NC[5,5])	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[5,5]C[5,6a]C[5,5]C[5])(NC[6a])	114.2550	0.000	1	114.2550	0.000	1	114.2550	0.000	1	114.0418	2.222	9	114.1710	8.020	1481	114.1710	8.020	1481
941	643	941	0:SP2_SP2_SP2	N	C[6a]	N	3:2:	3:3:2:	4:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:N-2:	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6]C[6]2N)(NC[6a])	N(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6]C[6]2N)(NC[6a])	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	114.0418	2.222	9	114.1710	8.020	1481	114.1710	8.020	1481
941	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:	3:3:2:	3:3:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP)	P(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a])	124.2180	0.000	1	124.2180	0.000	1	124.2180	0.000	1	124.7230	0.510	2	124.7230	0.510	2	124.7230	0.510	2
941	643	945	0:SP2_SP2_SP3	N	C[6a]	P	3:3:	3:3:2:	3:3:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-2:	N[6]-3:N[6]-3:N-2:	N(C[6a]C[6a]2)(PN[6]2)	C[6a](C[6a]C[6a]C)2(NP)	P(N[6]C[6]2)2(NC[6a])	N(C[6a]C[6a]2)(PN[6]2)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(N[6]C[6]2)2(NC[6a])	125.2280	0.000	1	125.2280	0.000	1	125.2280	0.000	1	124.7230	0.510	2	124.7230	0.510	2	124.7230	0.510	2
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	2:2:2:	2:	C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-2:	N-2:	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH){1|C<3>,1|N<3>,1|O<2>}	H(NC[6a])	120.0310	0.000	1	117.5860	11.956	2	118.7417	7.577	10	118.7417	7.577	10	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	2:2:2:	2:	C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-2:	N-2:	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH){1|C<3>,1|N<3>,1|S<2>}	H(NC[6a])	115.1410	0.000	1	117.5860	11.956	2	118.7417	7.577	10	118.7417	7.577	10	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	2:2:2:	2:	C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-2:	N-2:	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NH)	H(NC[6a])	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NH){1|C<3>,1|N<3>}	H(NC[6a])	123.8340	0.000	1	123.8340	0.000	1	118.7417	7.577	10	118.7417	7.577	10	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	2:2:2:	2:	C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-2:	N-2:	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH)	H(NC[6a])	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH){1|C<3>,2|C<4>}	H(NC[6a])	118.5760	0.000	1	118.3444	4.422	7	118.7417	7.577	10	118.7417	7.577	10	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	2:2:2:	2:	C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-2:	N-2:	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH)	H(NC[6a])	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH){1|C<3>,2|H<1>}	H(NC[6a])	118.2687	0.592	3	118.3444	4.422	7	118.7417	7.577	10	118.7417	7.577	10	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	2:2:2:	2:	C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-2:	N-2:	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH)	H(NC[6a])	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH){1|N<2>,2|C<4>}	H(NC[6a])	122.3100	0.000	1	118.3444	4.422	7	118.7417	7.577	10	118.7417	7.577	10	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	2:2:2:	2:	C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-2:	N-2:	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH)	H(NC[6a])	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH){1|N<2>,2|N<3>}	H(NC[6a])	117.3970	0.000	1	118.3444	4.422	7	118.7417	7.577	10	118.7417	7.577	10	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	2:2:2:	2:	C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-2:	N-2:	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH)	H(NC[6a])	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NH){2|Cl<1>,1|C<3>}	H(NC[6a])	115.3220	0.000	1	118.3444	4.422	7	118.7417	7.577	10	118.7417	7.577	10	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	2:3:2:	2:	C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-2:	N-2:	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a])	114.5970	0.000	1	114.5970	0.000	1	117.6845	19.065	2	117.6845	19.065	2	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	2:3:2:	2:	C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-2:	N-2:	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6a])	120.7720	0.000	1	120.7720	0.000	1	117.6845	19.065	2	117.6845	19.065	2	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[5,6a]N[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[5,6a]N[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	H(NC[6a])	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[5a,6a]N[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[5a,6a]N[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH){1|C<3>,1|N<2>,2|N<3>}	H(NC[6a])	118.0250	0.000	1	118.0250	0.000	1	118.0250	0.000	1	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NH)	H(NC[6a])	N(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a])	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	H(NC[6a])	119.5405	0.820	2	119.5080	0.339	3	118.8562	8.008	15	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NH){1|Cl<1>,1|H<1>,1|N<2>}	H(NC[6a])	119.4430	0.000	1	119.5080	0.339	3	118.8562	8.008	15	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NH){1|N<3>,2|C<3>}	H(NC[6a])	121.1000	0.000	1	121.1000	0.000	1	118.8562	8.008	15	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a])	121.3020	0.000	1	121.3020	0.000	1	118.8562	8.008	15	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a])	117.4055	2.508	2	117.4055	6.291	2	118.8562	8.008	15	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a])	116.1425	0.380	2	117.0018	2.538	4	118.8562	8.008	15	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	H(NC[6a])	116.3580	0.000	1	117.0018	2.538	4	118.8562	8.008	15	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6a])	119.3640	0.000	1	117.0018	2.538	4	118.8562	8.008	15	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NH){1|C<3>,2|H<1>}	H(NC[6a])	120.3960	0.000	1	120.3960	0.000	1	118.8562	8.008	15	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NH){1|N<2>,1|N<3>,2|C<3>}	H(NC[6a])	126.0510	0.000	1	126.0510	0.000	1	118.8562	8.008	15	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	H(NC[6a])	116.7370	0.000	1	116.7370	0.000	1	118.8562	8.008	15	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	N-2:	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NH)	H(NC[6a])	N(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NH){1|C<3>,1|H<1>}	H(NC[6a])	115.9150	0.000	1	115.9150	0.000	1	118.8562	8.008	15	118.2660	11.476	18	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:N-2:	N-2:	N(C[6a]C[5,6a]N[6a])(H)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH)	H(NC[6a])	N(C[6a]C[5,6a]N[6a])(H)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6a])	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NH){1|H<1>,1|O<1>,3|C<3>}	H(NC[6a])	113.3560	0.000	1	113.3560	0.000	1	115.2875	7.461	2	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NH){2|H<1>,3|C<3>}	H(NC[6a])	117.2190	0.000	1	117.2190	0.000	1	115.2875	7.461	2	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH){2|H<1>,3|C<3>}	H(NC[6a])	120.1730	0.000	1	120.1730	0.000	1	117.5115	14.167	2	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NH){1|H<1>,3|C<3>}	H(NC[6a])	114.8500	0.000	1	114.8500	0.000	1	117.5115	14.167	2	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N-2:	N-2:	N(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6a])	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>,1|S<4>}	H(NC[6a])	118.6620	0.000	1	118.6620	0.000	1	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a])	121.2450	0.000	1	121.2450	0.000	1	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NH){1|H<1>,4|C<3>}	H(NC[6a])	115.3680	0.000	1	115.3680	0.000	1	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a])	119.3830	0.000	1	119.9840	0.722	2	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NH){1|H<1>,2|C<3>}	H(NC[6a])	120.5850	0.000	1	119.9840	0.722	2	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NH){1|C<3>,2|H<1>}	H(NC[6a])	115.8590	0.000	1	115.8590	0.000	1	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(NH){1|C<3>,2|H<1>}	H(NC[6a])	113.3310	0.000	1	113.3310	0.000	1	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NH){1|C<3>,2|H<1>}	H(NC[6a])	120.2530	0.000	1	120.2530	0.000	1	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NH){1|C<3>,2|H<1>}	H(NC[6a])	122.2055	1.661	2	121.3475	4.219	4	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NH){1|Si<4>,1|C<2>,1|C<3>}	H(NC[6a])	122.3540	0.000	1	121.3475	4.219	4	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NH){3|C<3>}	H(NC[6a])	118.6250	0.000	1	121.3475	4.219	4	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a])	119.4800	0.000	1	119.4800	0.000	1	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(NH){1|C<3>,2|H<1>}	H(NC[6a])	109.3490	0.000	1	109.3490	0.000	1	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH){1|C<3>,2|H<1>}	H(NC[6a])	115.0350	0.851	2	115.0350	0.725	2	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a])	113.0225	0.383	2	117.6379	26.548	7	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	H(NC[6a])	119.4840	4.987	5	117.6379	26.548	7	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NH){1|C<3>,1|H<1>}	H(NC[6a])	93.8028	0.000	1	93.8028	0.000	1	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|C<3>,1|H<1>,1|O<2>}	H(NC[6a])	120.3060	0.000	1	114.4427	32.657	24	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|C<3>,2|H<1>}	H(NC[6a])	114.1630	5.862	19	114.4427	32.657	24	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6a])	106.0000	0.000	1	114.4427	32.657	24	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){1|H<1>,2|C<3>}	H(NC[6a])	117.2270	2.113	2	114.4427	32.657	24	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NH){3|C<3>}	H(NC[6a])	116.7680	0.000	1	114.4427	32.657	24	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>}	H(NC[6a])	117.3370	2.756	2	117.3370	7.597	2	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NH)	H(NC[6a])	N(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NH){1|C<3>,1|H<1>}	H(NC[6a])	116.1110	0.000	1	116.1110	0.000	1	115.7579	35.339	51	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]N[5,6a]C[6a])(H)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH)	H(NC[6a])	N(C[6a]N[5,6a]C[6a])(H)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH){1|O<2>,1|S<2>,3|C<3>}	H(NC[6a])	115.2450	0.000	1	115.2450	0.000	1	111.0755	34.769	2	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]N[5,6a]C[6a])(H)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH)	H(NC[6a])	N(C[6a]N[5,6a]C[6a])(H)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH){1|N<2>,1|N<3>,3|C<3>}	H(NC[6a])	106.9060	0.000	1	106.9060	0.000	1	111.0755	34.769	2	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]N[5a,6a]C[6a])(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH)	H(NC[6a])	N(C[6a]N[5a,6a]C[6a])(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH){1|N<2>,2|C<3>}	H(NC[6a])	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	951	0:SP2_SP-NON_SP2	N	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	N[6,6a]-3:C[6a]-3:N-2:	N-2:	N(C[6a]N[6,6a]C[6a])(H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NH)	H(NC[6a])	N(C[6a]N[6,6a]C[6a])(H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NH){1|N<2>,2|H<1>,4|C<3>}	H(NC[6a])	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	115.3216	33.976	61	116.3318	27.914	91	116.3318	27.914	91
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	2:2:2:	3:2:1:1:	C[6a]-3:S-4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]N[6a]2)(SC[6a]OO)	C[6a](N[6a]C[6a])2(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]N[6a]2)(SC[6a]OO)	C[6a](N[6a]C[6a])2(NS){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	124.3676	2.603	14	123.2858	6.308	29	123.2858	6.308	29	123.2858	6.308	29	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	2:2:2:	3:2:1:1:	C[6a]-3:S-4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]N[6a]2)(SC[6a]OO)	C[6a](N[6a]C[6a])2(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]N[6a]2)(SC[6a]OO)	C[6a](N[6a]C[6a])2(NS){1|C<3>,2|C<4>}	S(C[6a]C[6a]2)(NC[6a])(O)2	122.2108	2.871	4	123.2858	6.308	29	123.2858	6.308	29	123.2858	6.308	29	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	2:2:2:	3:2:1:1:	C[6a]-3:S-4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]N[6a]2)(SC[6a]OO)	C[6a](N[6a]C[6a])2(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]N[6a]2)(SC[6a]OO)	C[6a](N[6a]C[6a])2(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	122.2997	1.791	11	123.2858	6.308	29	123.2858	6.308	29	123.2858	6.308	29	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:2:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	125.9870	0.000	1	125.9870	0.000	1	123.8875	4.779	10	123.8875	4.779	10	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:2:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	123.5242	2.518	6	123.5242	6.340	6	123.8875	4.779	10	123.8875	4.779	10	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:2:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NS){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	121.9010	0.000	1	121.9010	0.000	1	123.8875	4.779	10	123.8875	4.779	10	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:2:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	124.8010	0.000	1	124.9210	0.029	2	123.8875	4.779	10	123.8875	4.779	10	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:2:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]N[6a])(SC[6a]OO)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NS){1|Cl<1>,1|C<3>}	S(C[6a]C[6a]2)(NC[6a])(O)2	125.0410	0.000	1	124.9210	0.029	2	123.8875	4.779	10	123.8875	4.779	10	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	2:1:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	N-2:O-1:O-1:O-1:	N(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)2(NS)	S(NC[6a])(O)3	N(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,2|H<1>}	S(NC[6a])(O)3	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	2:4:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	S(NC[6a])(CCHH)(O)2	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	S(NC[6a])(CCHH)(O)2	123.1240	0.000	1	123.1240	0.000	1	124.2250	10.261	8	124.2250	10.261	8	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	2:4:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	S(NC[6a])(CF3)(O)2	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	S(NC[6a])(CF3)(O)2	130.9690	0.000	1	130.9690	0.000	1	124.2250	10.261	8	124.2250	10.261	8	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	2:4:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	S(NC[6a])(CH3)(O)2	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	S(NC[6a])(CH3)(O)2	120.7260	0.000	1	120.7260	0.000	1	124.2250	10.261	8	124.2250	10.261	8	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	2:4:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NS)	S(NC[6a])(CCHH)(O)2	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,2|H<1>}	S(NC[6a])(CCHH)(O)2	124.4975	3.064	2	124.4975	9.387	2	124.2250	10.261	8	124.2250	10.261	8	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	2:4:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NS)	S(NC[6a])(CF3)(O)2	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NS){1|N<2>,2|H<1>}	S(NC[6a])(CF3)(O)2	123.1665	0.887	2	123.1665	0.788	2	124.2250	10.261	8	124.2250	10.261	8	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	2:4:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:O-1:O-1:	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NS)	S(NC[6a])(CCFF)(O)2	N(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NS){1|N<2>,2|C<3>,2|H<1>}	S(NC[6a])(CCFF)(O)2	123.6530	0.000	1	123.6530	0.000	1	124.2250	10.261	8	124.2250	10.261	8	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	2:4:4:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:O-1:	N(C[6a]C[6a]2)(SCCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	S(NC[6a])(CH3)2(O)	N(C[6a]C[6a]2)(SCCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	S(NC[6a])(CH3)2(O)	118.8840	0.000	1	118.8840	0.000	1	118.8840	0.000	1	118.8840	0.000	1	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NS){1|N<3>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	119.8770	0.000	1	119.8770	0.000	1	119.8770	0.000	1	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NS){1|H<1>,1|O<1>,3|C<3>}	S(C[6a]C[6a]2)(NC[6a])(O)2	125.9490	0.000	1	125.9490	0.000	1	125.9490	0.000	1	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[5a]OO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NS)	S(C[5a]C[5a]S[5a])(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[5a]OO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NS){1|C<4>,2|C<3>,3|H<1>}	S(C[5a]C[5a]S[5a])(NC[6a])(O)2	124.6500	0.000	1	124.6500	0.000	1	124.6500	0.000	1	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NS){1|H<1>,2|C<3>}	S(C[6a]C[6a]2)(NC[6a])(O)2	119.0770	0.000	1	119.0770	0.000	1	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NS){2|H<1>,3|C<3>}	S(C[6a]C[6a]2)(NC[6a])(O)2	122.4970	0.000	1	122.4970	0.000	1	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	127.2360	0.000	1	127.2360	0.000	1	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(NC[6a])(O)2	128.6010	2.411	2	126.2695	6.789	8	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	125.4923	2.333	6	126.2695	6.789	8	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	120.4970	0.000	1	121.1603	1.011	3	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NS){1|Cl<1>,1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	121.4920	1.167	2	121.1603	1.011	3	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	119.9416	2.306	5	119.9416	5.317	5	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	122.5900	0.000	1	122.5900	0.000	1	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	120.7680	2.111	3	120.7680	4.456	3	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,1|F<1>,1|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	123.1900	0.000	1	121.6907	1.840	12	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	122.1327	1.503	6	121.6907	1.840	12	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS)	S(C[6a]C[6a]2)(NC[6a])(O)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NS){1|N<2>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(O)2	120.8606	0.723	5	121.6907	1.840	12	122.4954	8.905	35	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:O-1:O-1:	N(C[6a]C[6a]2)(SNOO)	C[6a](C[6a]C[6a]H)2(NS)	S(NC[6a]H)(NC[6a])(O)2	N(C[6a]C[6a]2)(SNOO)	C[6a](C[6a]C[6a]H)2(NS){1|C<3>,2|H<1>}	S(NC[6a]H)(NC[6a])(O)2	124.4040	0.000	1	124.4040	0.000	1	124.4040	0.000	1	122.6210	8.664	39	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:2:2:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-2:O-2:	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)2(NS)	S(C[6a]C[6a]2)(NC[6a])(OLi)2	N(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)2(NS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a])(OLi)2	123.1120	0.000	1	123.1120	0.000	1	123.1120	0.000	1	123.1120	0.000	1	123.0904	7.515	90	123.0904	7.515	90
941	643	952	0:SP2_SP2_SP3	N	C[6a]	S	3:4:	3:3:2:	3:2:4:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:C-4:O-1:	N(C[6a]C[6a]2)(SC[6a]CO)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(NS)	S(C[6a]C[6a]2)(NC[6a])(CH3)(O)	N(C[6a]C[6a]2)(SC[6a]CO)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(NS){1|C<3>,2|C<4>,3|H<1>}	S(C[6a]C[6a]2)(NC[6a])(CH3)(O)	124.4040	0.000	1	124.4040	0.000	1	124.4040	0.000	1	124.4040	0.000	1	123.0904	7.515	90	123.0904	7.515	90
941	643	955	0:SP2_SP2_SP3	N	C[6a]	P[5,5]	4:3:	3:3:2:	3:2:2:2:	P[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5,5]-3:O[5]-2:O[5]-2:N-2:	N(P[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP[5,5])	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(NC[6a])	N(P[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP[5,5]){1|C<3>,2|H<1>}	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(NC[6a]){2|C<4>,2|H<1>}	135.7170	0.000	1	135.7170	0.000	1	135.7170	0.000	1	135.7170	0.000	1	136.4525	1.082	2	136.4525	1.082	2
941	643	955	0:SP2_SP2_SP3	N	C[6a]	P[5,5]	4:3:	3:3:2:	3:3:3:2:	P[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[5,5]-3:N[5]-3:N[5]-3:N-2:	N(P[5,5]N[5,5]N[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP[5,5])	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a])	N(P[5,5]N[5,5]N[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP[5,5]){1|C<3>,2|H<1>}	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a]){4|C<3>}	137.1880	0.000	1	137.1880	0.000	1	137.1880	0.000	1	137.1880	0.000	1	136.4525	1.082	2	136.4525	1.082	2
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	2:2:2:	2:1:1:	C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-2:	N-2:O-1:O-1:	N(C[6a]N[6a]2)(NOO)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN)	N(NC[6a])(O)2	N(C[6a]N[6a]2)(NOO)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN){1|N<2>,2|N<3>}	N(NC[6a])(O)2	121.5370	0.000	1	121.5370	0.000	1	118.5928	3.607	5	118.5928	3.607	5	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	2:2:2:	2:1:1:	C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-2:	N-2:O-1:O-1:	N(C[6a]N[6a]2)(NOO)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN)	N(NC[6a])(O)2	N(C[6a]N[6a]2)(NOO)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN){2|C<3>}	N(NC[6a])(O)2	118.3290	0.677	3	118.3290	0.458	3	118.5928	3.607	5	118.5928	3.607	5	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	2:2:2:	2:1:1:	C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-2:	N-2:O-1:O-1:	N(C[6a]N[6a]2)(NOO)	C[6a](N[6a]N[6a])2(NN)	N(NC[6a])(O)2	N(C[6a]N[6a]2)(NOO)	C[6a](N[6a]N[6a])2(NN){1|C<3>}	N(NC[6a])(O)2	116.4400	0.000	1	116.4400	0.000	1	118.5928	3.607	5	118.5928	3.607	5	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a,6a]C[6a])(NC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NN)	N(C[6a]C[6a,6a]C[6a])(NC[6a])(O)	N(C[6a]C[6a,6a]C[6a])(NC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NN){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])(O)	117.7980	0.000	1	117.7980	0.000	1	117.7980	0.000	1	119.6969	2.697	29	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[6a]C[6a]2)(NC[6]H)	C[6a](C[6a]C[6a]H)2(NN)	N(C[6]C[6]N[6])(NC[6a])(H)	N(C[6a]C[6a]2)(NC[6]H)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(NC[6a])(H)	121.2230	0.000	1	121.2230	0.000	1	121.2230	0.000	1	119.6969	2.697	29	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN)	N(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(NN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])(H)	122.1310	0.000	1	122.1310	0.000	1	120.0938	3.543	9	119.6969	2.697	29	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN)	N(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(H)	119.8310	0.000	1	119.8310	0.000	1	120.0938	3.543	9	119.6969	2.697	29	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC[6a])(H)	119.8140	0.881	2	119.8403	3.946	7	120.0938	3.543	9	119.6969	2.697	29	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(H)	119.8508	2.392	5	119.8403	3.946	7	120.0938	3.543	9	119.6969	2.697	29	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(O)	116.9280	0.000	1	116.9280	0.000	1	119.5192	2.309	18	119.6969	2.697	29	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NN){1|C<3>,2|S<2>,3|H<1>}	N(C[6a]C[6a]2)(NC[6a])(O)	121.3090	0.000	1	121.3090	0.000	1	119.5192	2.309	18	119.6969	2.697	29	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(O)	119.5672	1.496	14	119.5693	1.953	16	119.5192	2.309	18	119.6969	2.697	29	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])(O)	N(C[6a]C[6a]2)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])(O)	119.5840	0.423	2	119.5693	1.953	16	119.5192	2.309	18	119.6969	2.697	29	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	3:3:2:	3:2:2:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:N-2:	N(C[6a]C[6a]2)(NC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN)	N(C[6a]C[6a]2)(NC[6a])(NC)	N(C[6a]C[6a]2)(NC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(NC)	117.4425	0.879	2	117.4425	0.773	2	117.4425	0.773	2	117.4425	0.773	2	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP2	N	C[6a]	N	3:3:	3:3:2:	4:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	B-4:N-2:O-1:	N(C[6a]C[6a]2)(NBO)	C[6a](C[6a]C[6a]H)2(NN)	N(BC[5]HH)(NC[6a])(O)	N(C[6a]C[6a]2)(NBO)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(BC[5]HH)(NC[6a])(O)	116.6650	0.000	1	116.6650	0.000	1	116.6650	0.000	1	116.6650	0.000	1	119.3439	3.099	37	119.3439	3.099	37
941	643	956	0:SP2_SP2_SP3	N	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN)	N(C[6a]C[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(H)	122.1940	0.000	1	122.1940	0.000	1	122.1940	0.000	1	122.1940	0.000	1	122.1940	0.000	1	122.1940	0.000	1
941	643	979	0:SP2_SP2_SP2	N	C[6a]	Si	3:3:	3:3:2:	3:2:2:	C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:N-2:	N(C[6a]C[6a]2)(SiC[5]N)	C[6a](C[6a]C[6a]C)2(NSi)	Si(C[5]N[5]2)(NC[6a])2	N(C[6a]C[6a]2)(SiC[5]N)	C[6a](C[6a]C[6a]C)2(NSi){1|C<3>,2|H<1>}	Si(C[5]N[5]2)(NC[6a])2	148.3480	3.937	2	148.3480	15.501	2	148.3480	15.501	2	148.3480	15.501	2	148.3480	15.501	2	148.3480	15.501	2
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	2:3:	3:3:2:	6:2:	C-2:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	B[3x3,3x5,12x6]-6:N-2:	N(CB[3x3,3x5,12x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC)	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(NC[6a])	N(CB[3x3,3x5,12x6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(NC[6a])	170.1280	0.000	1	170.1280	0.000	1	170.1280	0.000	1	170.1280	0.000	1	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	2:2:2:	2:1:	C[6a]-3:C-2:	N[6a]-2:N[6a]-2:N-2:	N-2:N-1:	N(C[6a]N[6a]2)(CN)	C[6a](N[6a]C[6a])2(NC)	C(NC[6a])(N)	N(C[6a]N[6a]2)(CN)	C[6a](N[6a]C[6a])2(NC){3|N<2>}	C(NC[6a])(N)	118.4260	0.298	3	118.4260	0.089	3	118.4260	0.089	3	118.4260	0.089	3	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:2:2:	3:2:	C[6a]-3:C-2:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC)	C(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])	120.3280	0.000	1	120.3280	0.000	1	120.3280	0.000	1	120.3280	0.000	1	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[5,6a]C[6a])(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC)	C(NC[6a])(N)	N(C[6a]C[5,6a]C[6a])(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC){1|C<3>,2|C<4>,3|H<1>}	C(NC[6a])(N)	121.2840	0.000	1	121.2840	0.000	1	121.2840	0.000	1	124.9019	105.221	12	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:N-2:	N-2:S-1:	N(C[6a]C[6,6a]C[6a])(CS)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NC)	C(NC[6a])(S)	N(C[6a]C[6,6a]C[6a])(CS)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NC){1|H<1>,1|N<3>,3|C<3>}	C(NC[6a])(S)	144.8820	0.000	1	144.8820	0.000	1	144.8820	0.000	1	124.9019	105.221	12	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C(NC[6a])(N)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C(NC[6a])(N)	117.2400	0.000	1	117.2400	0.000	1	119.0661	1.781	8	124.9019	105.221	12	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC)	C(NC[6a])(N)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a])(N)	118.5280	0.000	1	118.5280	0.000	1	119.0661	1.781	8	124.9019	105.221	12	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])(N)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(N)	120.0170	0.502	3	120.0170	0.252	3	119.0661	1.781	8	124.9019	105.221	12	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC)	C(NC[6a])(N)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a])(N)	118.4530	0.000	1	118.4530	0.000	1	119.0661	1.781	8	124.9019	105.221	12	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC)	C(NC[6a])(N)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a])(N)	120.7470	0.000	1	120.7470	0.000	1	119.0661	1.781	8	124.9019	105.221	12	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-1:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(N)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(N)	117.5100	0.000	1	117.5100	0.000	1	119.0661	1.781	8	124.9019	105.221	12	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:O-1:	N(C[6a]C[6a]2)(CO)	C[6a](C[6a]C[6a]2)2(NC)	C(NC[6a])(O)	N(C[6a]C[6a]2)(CO)	C[6a](C[6a]C[6a]2)2(NC){2|H<1>,5|C<3>}	C(NC[6a])(O)	140.5340	0.000	1	140.5340	0.000	1	140.0640	0.442	2	124.9019	105.221	12	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:O-1:	N(C[6a]C[6a]2)(CO)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(O)	N(C[6a]C[6a]2)(CO)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(O)	139.5940	0.000	1	139.5940	0.000	1	140.0640	0.442	2	124.9019	105.221	12	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC)	C(NC[6a])(NAu)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>}	C(NC[6a])(NAu)	119.4040	0.000	1	119.4040	0.000	1	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC)	C(NC[6a])2	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC){1|C<3>,2|H<1>}	C(NC[6a])2	135.4330	0.000	1	135.4330	0.000	1	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(NFe)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NFe)	128.6350	0.677	2	128.6350	0.459	2	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(NNi)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NNi)	127.7980	0.709	4	127.7980	0.503	4	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(NP)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NP)	150.8580	0.865	2	150.8580	0.749	2	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(NPd)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NPd)	128.2483	2.839	6	128.2483	8.058	6	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(NPt)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NPt)	128.2190	3.848	2	128.2190	14.808	2	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(NRu)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NRu)	128.2840	0.000	1	128.2840	0.000	1	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])2	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])2	137.6683	4.362	8	137.6683	19.023	8	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]Cl)2(NC)	C(NC[6a])(NRu)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]Cl)2(NC){2|Cl<1>,1|C<3>}	C(NC[6a])(NRu)	127.3350	0.000	1	127.3350	0.000	1	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NMn)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NMn)	119.4490	0.117	2	118.3468	1.854	5	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NMn)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a])(NMn)	117.6120	1.295	3	118.3468	1.854	5	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NNi)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(NNi)	117.7115	1.265	2	117.6327	0.566	4	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NNi)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NNi)	117.5540	0.267	2	117.6327	0.566	4	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NPd)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NPd)	119.7480	0.000	1	119.7480	0.000	1	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NRu)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(NRu)	120.7350	0.000	1	120.7350	0.000	1	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])2	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])2	128.5280	0.000	1	128.5280	0.000	1	128.4796	80.302	40	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:P-2:	N(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(PB[5a])	N(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(PB[5a])	146.5410	0.000	1	146.5410	0.000	1	147.9600	4.027	2	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:P-2:	N(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(PC)	N(C[6a]C[6a]2)(CP)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(PC)	149.3790	0.000	1	149.3790	0.000	1	147.9600	4.027	2	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	Nb[10x3]-2:N-2:	N(C[6a]C[6a]2)(CNb[10x3])	C[6a](C[6a]C[6a]C)2(NC)	C(Nb[10x3]C[3,3,5]10P)(NC[6a])	N(C[6a]C[6a]2)(CNb[10x3])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(Nb[10x3]C[3,3,5]10P)(NC[6a])	163.5530	0.000	1	163.5530	0.000	1	163.5530	0.000	1	130.2013	118.987	43	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:3:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-3:	N(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CAuP)	N(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CAuP)	124.8290	0.000	1	124.8290	0.000	1	124.8290	0.000	1	122.3997	15.158	3	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:3:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(NNi2)	N(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a])(NNi2)	121.1850	4.633	2	121.1850	21.464	2	121.1850	21.464	2	122.3997	15.158	3	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:4:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:	N(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(NC)	C(NC[6a])(CC3)	N(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(CC3)	178.8760	0.000	1	178.8760	0.000	1	178.8760	0.000	1	178.2145	0.875	2	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	2:4:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	N-2:Ga-4:	N(C[6a]C[6a]2)(CGa)	C[6a](C[6a]C[6a]C)2(NC)	C(NC[6a])(GaC3)	N(C[6a]C[6a]2)(CGa)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(NC[6a])(GaC3)	177.5530	0.000	1	177.5530	0.000	1	177.5530	0.000	1	178.2145	0.875	2	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	3:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	B-3:N-2:	N(C[6a]C[6a]2)(CB)	C[6a](C[6a]C[6a]C)2(NC)	C(BC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CB)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(BC[6a]C)(NC[6a])	160.5730	0.000	1	160.5730	0.000	1	160.5730	0.000	1	140.6285	471.804	10	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	3:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C-3:N-2:	N(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)2(NC)	C(CC[5a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(NC[6a])	131.5820	0.509	2	131.5820	0.259	2	131.5820	0.259	2	140.6285	471.804	10	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	3:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)2(NC)	C(C[6]N[6]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6]N[6]2)(NC[6a])	122.1380	0.000	1	122.1380	0.000	1	122.7225	0.683	2	140.6285	471.804	10	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	3:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6]-3:N-2:	N(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(NC)	C(C[6]N[6]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6])	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6]N[6]2)(NC[6a])	123.3070	0.000	1	123.3070	0.000	1	122.7225	0.683	2	140.6285	471.804	10	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	3:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a,6a])	C[6a](C[6a]C[6a]C)2(NC)	C(C[6a,6a]N[6a,6a]B[3x6a])(NC[6a])	N(C[6a]C[6a]2)(CC[6a,6a])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(C[6a,6a]N[6a,6a]B[3x6a])(NC[6a])	120.8690	0.000	1	120.8690	0.000	1	120.8690	0.000	1	140.6285	471.804	10	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	3:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N-2:	N(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(NC)	C(C[6a]C[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CC[6a])	C[6a](C[6a]C[6a]H)2(NC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])	121.5010	0.000	1	121.5010	0.000	1	121.5010	0.000	1	140.6285	471.804	10	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	3:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	Ge-3:N-2:	N(C[6a]C[6a]2)(CGe)	C[6a](C[6a]C[6a]C)2(NC)	C(GeC[6a]Ge)(NC[6a])	N(C[6a]C[6a]2)(CGe)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(GeC[6a]Ge)(NC[6a])	174.1960	0.317	2	174.1960	0.100	2	174.1960	0.100	2	140.6285	471.804	10	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	3:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	Si[5]-3:N-2:	N(C[6a]C[6a]2)(CSi[5])	C[6a](C[6a]C[6a]C)2(NC)	C(Si[5]C[5]2)(NC[6a])	N(C[6a]C[6a]2)(CSi[5])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(Si[5]C[5]2)(NC[6a])	146.3410	0.000	1	146.3410	0.000	1	146.3410	0.000	1	140.6285	471.804	10	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	4:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	B-4:N-2:	N(C[6a]C[6a]2)(CB)	C[6a](C[6a]C[6a]C)2(NC)	C(BC[6a]2C)(NC[6a])	N(C[6a]C[6a]2)(CB)	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(BC[6a]2C)(NC[6a])	177.1760	0.000	1	177.1760	0.000	1	177.1760	0.000	1	177.1760	0.000	1	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	5:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	Nb[6]-5:N-2:	N(C[6a]C[6a]2)(CNb[6])	C[6a](C[6a]C[6a]C)2(NC)	C(Nb[6]N[6]2NN)(NC[6a])	N(C[6a]C[6a]2)(CNb[6])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(Nb[6]N[6]2NN)(NC[6a])	173.5040	0.000	1	173.5040	0.000	1	173.5040	0.000	1	173.5040	0.000	1	134.3034	343.493	80	134.3034	343.493	80
941	643	983	0:SP2_SP1_SP2	N	C[6a]	C	3:2:	3:3:2:	6:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-2:	Nb[6]-6:N-2:	N(C[6a]C[6a]2)(CNb[6])	C[6a](C[6a]C[6a]C)2(NC)	C(Nb[6]N[6]2CCN)(NC[6a])	N(C[6a]C[6a]2)(CNb[6])	C[6a](C[6a]C[6a]C)2(NC){1|C<3>,2|H<1>}	C(Nb[6]N[6]2CCN)(NC[6a])	173.4893	3.266	3	173.4893	10.667	3	173.4893	10.667	3	173.4893	10.667	3	134.3034	343.493	80	134.3034	343.493	80
941	643	989	0:SP2_SP2_SP2	N	C[6a]	Si[5]	3:3:	3:3:2:	4:4:2:	C[6a]-3:Si[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[5]-4:N-2:	N(C[6a]C[6a]2)(Si[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NSi[5])	Si[5](C[5]C[5]Si2)2(NC[6a])	N(C[6a]C[6a]2)(Si[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NSi[5]){1|C<3>,2|H<1>}	Si[5](C[5]C[5]Si2)2(NC[6a]){4|H<1>}	144.4170	0.000	1	144.4170	0.000	1	144.4170	0.000	1	144.4170	0.000	1	144.4170	0.000	1	144.4170	0.000	1
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	2:2:2:	2:1:1:1:	C[6a]-3:P-4:	N[6a]-2:N[6a]-2:N-2:	N-2:Cl-1:Cl-1:Cl-1:	N(C[6a]N[6a]2)(PCl3)	C[6a](N[6a]C[6,6a])2(NP)	P(NC[6a])(Cl)3	N(C[6a]N[6a]2)(PCl3)	C[6a](N[6a]C[6,6a])2(NP){1|N<3>,2|N<2>}	P(NC[6a])(Cl)3	119.7740	0.000	1	119.7740	0.000	1	122.4216	5.097	7	122.4216	5.097	7	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	2:2:2:	2:1:1:1:	C[6a]-3:P-4:	N[6a]-2:N[6a]-2:N-2:	N-2:Cl-1:Cl-1:Cl-1:	N(C[6a]N[6a]2)(PCl3)	C[6a](N[6a]C[6a])2(NP)	P(NC[6a])(Cl)3	N(C[6a]N[6a]2)(PCl3)	C[6a](N[6a]C[6a])2(NP){3|N<2>}	P(NC[6a])(Cl)3	122.8628	2.117	6	122.8628	4.481	6	122.4216	5.097	7	122.4216	5.097	7	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	2:2:2:	2:3:3:3:	C[6a]-3:P-4:	N[6a]-2:N[6a]-2:N-2:	N-2:N-3:N-3:N-3:	N(C[6a]N[6a]2)(PN3)	C[6a](N[6a]C[6a])2(NP)	P(NC[6a])(NCC)3	N(C[6a]N[6a]2)(PN3)	C[6a](N[6a]C[6a])2(NP){3|N<2>}	P(NC[6a])(NCC)3	125.7920	2.223	3	125.7920	4.940	3	125.7920	4.940	3	125.7920	4.940	3	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	2:2:2:	3:3:3:2:	C[6a]-3:P-4:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]N[6a]2)(PC[6a]3)	C[6a](N[6a]C[6a])2(NP)	P(C[6a]C[6a]2)3(NC[6a])	N(C[6a]N[6a]2)(PC[6a]3)	C[6a](N[6a]C[6a])2(NP){1|N<3>,2|N<2>}	P(C[6a]C[6a]2)3(NC[6a])	126.5935	4.564	2	126.5935	20.834	2	126.5935	20.834	2	129.0204	40.518	5	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	2:2:2:	3:3:3:2:	C[6a]-3:P-4:	N[6a]-2:N[6a]-2:N-2:	N[5]-3:N[5]-3:N[5]-3:N-2:	N(C[6a]N[6a]2)(PN[5]3)	C[6a](N[6a]C[6a])2(NP)	P(N[5]C[5]2)3(NC[6a])	N(C[6a]N[6a]2)(PN[5]3)	C[6a](N[6a]C[6a])2(NP){3|N<2>}	P(N[5]C[5]2)3(NC[6a])	130.6383	7.798	3	130.6383	60.802	3	130.6383	60.802	3	129.0204	40.518	5	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:2:2:	3:3:2:4:	C[6a]-3:P-4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:C-4:	N(C[6a]C[6a]N[6a])(PC[6a]2C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	P(C[6a]C[6a]2)2(NC[6a])(CHHN)	N(C[6a]C[6a]N[6a])(PC[6a]2C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a])(CHHN)	120.2580	0.000	1	120.2580	0.000	1	120.2580	0.000	1	120.2580	0.000	1	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:2:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	P(C[6a]C[6a]2)3(NC[6a])	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)3(NC[6a])	124.0050	0.000	1	125.5108	2.617	4	125.5108	2.617	4	124.7474	4.876	5	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:2:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	P(C[6a]C[6a]2)3(NC[6a])	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,1|H<1>,1|S<2>}	P(C[6a]C[6a]2)3(NC[6a])	124.5920	0.000	1	125.5108	2.617	4	125.5108	2.617	4	124.7474	4.876	5	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:2:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	P(C[6a]C[6a]2)3(NC[6a])	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|N<3>,1|O<1>,1|O<2>}	P(C[6a]C[6a]2)3(NC[6a])	125.7740	0.000	1	125.5108	2.617	4	125.5108	2.617	4	124.7474	4.876	5	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:2:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	P(C[6a]C[6a]2)3(NC[6a])	N(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|N<3>,1|O<1>,1|S<2>}	P(C[6a]C[6a]2)3(NC[6a])	127.6720	0.000	1	125.5108	2.617	4	125.5108	2.617	4	124.7474	4.876	5	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:2:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:N[6a]-2:N-2:	N-3:N-3:N-3:N-2:	N(C[6a]C[6a]N[6a])(PN3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP)	P(NC[6a]H)3(NC[6a])	N(C[6a]C[6a]N[6a])(PN3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP){1|C<3>,2|H<1>}	P(NC[6a]H)3(NC[6a])	121.6940	0.000	1	121.6940	0.000	1	121.6940	0.000	1	124.7474	4.876	5	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:N-2:O-1:	N(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a]H)2(NP)	P(NC[6a])2(NC)(O)	N(C[6a]C[6a]2)(PNNO)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	P(NC[6a])2(NC)(O)	124.4955	0.200	2	124.4955	0.040	2	124.4955	0.040	2	124.2527	0.197	3	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:O-2:O-1:	N(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(NP)	P(NC[6a])(OC[6a])2(O)	N(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(NC[6a])(OC[6a])2(O)	123.7670	0.000	1	123.7670	0.000	1	123.7670	0.000	1	124.2527	0.197	3	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	N-2:N-2:O-2:O-2:	N(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP)	P(NC[6a])2(OC[6a])2	N(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP){1|H<1>,4|C<3>}	P(NC[6a])2(OC[6a])2	122.7375	1.378	4	122.7375	1.899	4	122.7375	1.899	4	124.4300	15.747	5	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:O-2:O-2:	N(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	P(NC[6a])(OC)3	N(C[6a]C[6a]2)(PO3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	P(NC[6a])(OC)3	131.2000	0.000	1	131.2000	0.000	1	131.2000	0.000	1	124.4300	15.747	5	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	2:2:2:3:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	N-2:O-2:O-2:N-3:	N(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a]C)2(NP)	P(NC[6a])(OC[6a])2(NCC)	N(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(NC[6a])(OC[6a])2(NCC)	153.8320	0.000	1	153.8320	0.000	1	153.8320	0.000	1	153.8320	0.000	1	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	2:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:N-2:	N(C[6a]C[6a]2)(PN3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP)	P(NC[6a])(NCC)2(NP)	N(C[6a]C[6a]2)(PN3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP){1|H<1>,4|C<3>}	P(NC[6a])(NCC)2(NP)	133.1705	4.156	4	133.1705	17.273	4	133.1705	17.273	4	133.1705	17.273	4	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	2:3:3:3:	C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:N-2:	N-2:N-3:N-3:N-3:	N(C[6a]C[6a,6a]C[6a])(PN3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP)	P(NC[6a])(NCC)3	N(C[6a]C[6a,6a]C[6a])(PN3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP){1|H<1>,1|N<2>,3|C<3>}	P(NC[6a])(NCC)3	133.1200	0.000	1	133.1200	0.000	1	133.1200	0.000	1	133.1200	0.000	1	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	2:4:4:3:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:N-3:	N(C[6a]C[6a]2)(PCCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	P(NC[6a])(CC3)2(NCN)	N(C[6a]C[6a]2)(PCCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	P(NC[6a])(CC3)2(NCN)	141.5350	0.895	2	141.5350	0.801	2	141.5350	0.801	2	141.5350	0.801	2	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	N-2:C-4:C-4:C-4:	N(C[6a]C[6a]2)(PC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	P(NC[6a])(CHHN)(CC3)2	N(C[6a]C[6a]2)(PC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	P(NC[6a])(CHHN)(CC3)2	125.2720	2.061	2	125.2720	4.246	2	125.2720	4.246	2	125.2720	4.246	2	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:2:2:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:O-2:O-2:	N(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NP)	P(NC[6a]H)(NC[6a])(OC[6a])2	N(C[6a]C[6a]2)(PNOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NP){1|H<1>,6|C<3>}	P(NC[6a]H)(NC[6a])(OC[6a])2	120.9390	0.000	1	120.9390	0.000	1	120.9390	0.000	1	120.9390	0.000	1	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:2:4:1:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	N-3:N-2:C-4:S-1:	N(C[6a]C[6a]2)(PCNS)	C[6a](C[6a]C[6a]H)2(NP)	P(NC[6a]H)(NC[6a])(CH3)(S)	N(C[6a]C[6a]2)(PCNS)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,1|C<4>,1|H<1>}	P(NC[6a]H)(NC[6a])(CH3)(S)	128.7840	0.000	1	128.7840	0.000	1	128.7840	0.000	1	128.7840	0.000	1	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:2:4:4:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:C-4:C-4:	N(C[6a]C[6a]2)(PC[5]CC)	C[6a](C[6a]C[6a]C)2(NP)	P(C[5]C[5]2)(NC[6a])(CCCH)2	N(C[6a]C[6a]2)(PC[5]CC)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(C[5]C[5]2)(NC[6a])(CCCH)2	137.1390	0.000	1	137.1390	0.000	1	130.6630	31.945	3	128.8762	54.042	10	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:2:4:4:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[5]-3:N-2:C-4:C-4:	N(C[6a]C[6a]2)(PC[5]CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NP)	P(C[5]C[5]2)(NC[6a])(CCCH)2	N(C[6a]C[6a]2)(PC[5]CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NP){1|C<3>,2|H<1>}	P(C[5]C[5]2)(NC[6a])(CCCH)2	127.4250	0.991	2	127.4250	0.983	2	130.6630	31.945	3	128.8762	54.042	10	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:2:4:4:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:N-2:C-4:C-4:	N(C[6a]C[6a]2)(PC[5a]CC)	C[6a](C[6a]C[6a]C)2(NP)	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	N(C[6a]C[6a]2)(PC[5a]CC)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	128.1104	8.254	7	128.1104	68.134	7	128.1104	68.134	7	128.8762	54.042	10	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:2:1:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:O-1:	N(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(NP)	P(C[6a]C[6a]2)2(NC[6a])(O)	N(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(NP){1|N<3>,2|C<3>}	P(C[6a]C[6a]2)2(NC[6a])(O)	124.3890	1.454	2	124.3890	2.114	2	124.3890	2.114	2	124.3890	2.114	2	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:2:2:	C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:N-2:	N[5]-3:N[5]-3:N-2:N-2:	N(C[6a]C[6a,6a]C[6a])(PN[5]2N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP)	P(N[5]C[5]2)2(NC[6a])(NP)	N(C[6a]C[6a,6a]C[6a])(PN[5]2N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NP){1|H<1>,1|N<2>,3|C<3>}	P(N[5]C[5]2)2(NC[6a])(NP)	124.1590	0.000	1	124.1590	0.000	1	124.1590	0.000	1	126.6440	12.350	2	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:2:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:N-2:	N(C[6a]C[6a]2)(PC[6a]2N)	C[6a](C[6a]C[6a]C)2(NP)	P(C[6a]C[6a]2)2(NC[6a])(NC[6])	N(C[6a]C[6a]2)(PC[6a]2N)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a])(NC[6])	129.1290	0.000	1	129.1290	0.000	1	129.1290	0.000	1	126.6440	12.350	2	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:2:3:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]C)2(NP)	P(C[6a]C[6a]2)2(NC[6a])(CCC)	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a])(CCC)	131.9193	0.413	4	131.9193	0.171	4	130.2440	27.432	12	130.2440	27.432	12	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:2:3:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]C)2(NP)	P(C[6a]C[6a]2)2(NC[6a])(CHP)	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a])(CHP)	127.8215	4.516	6	127.8215	20.393	6	130.2440	27.432	12	130.2440	27.432	12	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:2:3:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]F)2(NP)	P(C[6a]C[6a]2)2(NC[6a])(CCP)	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]F)2(NP){1|N<2>,2|F<1>}	P(C[6a]C[6a]2)2(NC[6a])(CCP)	141.9760	0.000	1	141.9760	0.000	1	130.2440	27.432	12	130.2440	27.432	12	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:2:3:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:C-3:	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]H)2(NP)	P(C[6a]C[6a]2)2(NC[6a])(CCP)	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a])(CCP)	126.3460	0.000	1	126.3460	0.000	1	130.2440	27.432	12	130.2440	27.432	12	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:2:4:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]C)2(NP)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])(CH3)	130.9590	2.257	4	130.9590	5.092	4	130.0200	7.983	7	130.0200	7.983	7	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:2:4:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]C)2(NP)	P(C[6a]C[6a]2)2(NC[6a])(CHHP)	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a])(CHHP)	132.7550	0.000	1	132.7550	0.000	1	130.0200	7.983	7	130.0200	7.983	7	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:2:4:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:C-4:	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]H)2(NP)	P(C[6a]C[6a]2)2(NC[6a])(CHHP)	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a])(CHHP)	126.7745	0.740	2	126.7745	0.548	2	130.0200	7.983	7	130.0200	7.983	7	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[5a,6a]C[6a])(PC[6a]3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NP)	P(C[6a]C[6a]2)3(NC[6a])	N(C[6a]C[5a,6a]C[6a])(PC[6a]3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NP){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	P(C[6a]C[6a]2)3(NC[6a])	128.3480	0.000	1	128.3480	0.000	1	128.3480	0.000	1	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a])	128.5640	3.919	2	128.5640	15.357	2	128.3486	8.052	14	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP)	P(C[6a]C[6a]2)3(NC[6a])	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(NC[6a])	127.3730	0.157	2	127.3730	0.025	2	128.3486	8.052	14	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)2(NP)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a])	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a])	126.5350	3.371	3	126.5350	11.363	3	128.3486	8.052	14	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]F)2(NP)	P(C[6a]C[6a]2)3(NC[6a])	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]F)2(NP){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)3(NC[6a])	128.1200	0.000	1	128.1200	0.000	1	128.3486	8.052	14	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP)	P(C[6a]C[6a]2)3(NC[6a])	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(NC[6a])	126.1300	0.000	1	126.1300	0.000	1	128.3486	8.052	14	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)2(NP)	P(C[6a]C[6a]2)3(NC[6a])	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(NC[6a])	129.3195	2.268	4	129.3195	5.145	4	128.3486	8.052	14	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NP)	P(C[6a]C[6a]2)3(NC[6a])	N(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NP){1|N<2>,2|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(NC[6a])	133.8730	0.000	1	133.8730	0.000	1	128.3486	8.052	14	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(PC[6a]2N)	C[6a](C[6a]C[6a]C)2(NP)	P(C[6a]C[6a]2)2(NC[6]H)(NC[6a])	N(C[6a]C[6a]2)(PC[6a]2N)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6]H)(NC[6a])	139.1470	0.000	1	139.1470	0.000	1	139.1470	0.000	1	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-3:N-2:	N(C[6a]C[6a]2)(PC[6a]2P)	C[6a](C[6a]C[6a]F)2(NP)	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(PC[6a]2P)	C[6a](C[6a]C[6a]F)2(NP){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6a])	135.1430	0.000	1	135.1430	0.000	1	133.2350	7.281	2	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-3:N-2:	N(C[6a]C[6a]2)(PC[6a]2P)	C[6a](C[6a]C[6a]H)2(NP)	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(PC[6a]2P)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6a])	131.3270	0.000	1	131.3270	0.000	1	133.2350	7.281	2	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	N-3:N-3:N-3:N-2:	N(C[6a]C[6a]2)(PN3)	C[6a](C[6a]C[6a]H)2(NP)	P(NC[6a]Li)(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(PN3)	C[6a](C[6a]C[6a]H)2(NP){1|C<3>,2|H<1>}	P(NC[6a]Li)(NC[6a]H)2(NC[6a])	124.1000	0.000	1	124.1000	0.000	1	124.1000	0.000	1	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	N[5a]-3:N[5a]-3:N[5a]-3:N-2:	N(C[6a]C[6a]2)(PN[5a]3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NP)	P(N[5a]C[5a]2)3(NC[6a])	N(C[6a]C[6a]2)(PN[5a]3)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NP){1|C<3>,2|H<1>}	P(N[5a]C[5a]2)3(NC[6a])	137.2130	0.000	1	137.2130	0.000	1	137.2130	0.000	1	129.6079	17.959	20	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	3:4:	3:3:2:	3:3:4:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:N-2:	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]C)2(NP)	P(C[6a]C[6a]2)2(CC[6a]HH)(NC[6a])	N(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)(NC[6a])	127.1440	0.000	1	127.1440	0.000	1	127.1440	0.000	1	127.1440	0.000	1	128.4591	35.593	96	128.4591	35.593	96
941	643	992	0:SP2_SP2_SP3	N	C[6a]	P	4:3:	3:3:2:	3:3:3:2:	P-4:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:N-2:	N(PC[6a]2C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP)	P(C[6a]C[6a]2)2(C[5]C[5]2)(NC[6a])	N(PC[6a]2C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[5]C[5]2)(NC[6a])	127.5690	0.000	1	127.5690	0.000	1	127.5690	0.000	1	127.5690	0.000	1	128.4591	35.593	96	128.4591	35.593	96
941	643	996	0:SP2_SP2_SP3	N	C[6a]	Si[4]	4:3:	3:3:2:	3:3:3:2:	Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[4]-3:N[4]-3:As-3:N-2:	N(Si[4]N[4]2As)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NSi[4])	Si[4](N[4]C[4]C)2(AsC[6a]2)(NC[6a])	N(Si[4]N[4]2As)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NSi[4]){1|C<3>,2|H<1>}	Si[4](N[4]C[4]C)2(AsC[6a]2)(NC[6a]){1|C<3>}	161.2510	0.000	1	161.2510	0.000	1	161.2510	0.000	1	154.0357	39.820	3	154.0357	39.820	3	154.0357	39.820	3
941	643	996	0:SP2_SP2_SP3	N	C[6a]	Si[4]	4:3:	3:3:2:	3:3:3:2:	Si[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	N[4]-3:N[4]-3:P-3:N-2:	N(Si[4]N[4]2P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[4])	Si[4](N[4]C[4]C)2(PC[6a]2)(NC[6a])	N(Si[4]N[4]2P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[4]){1|C<3>,2|H<1>}	Si[4](N[4]C[4]C)2(PC[6a]2)(NC[6a]){1|C<3>}	150.4280	1.245	2	150.4280	1.549	2	150.4280	1.549	2	154.0357	39.820	3	154.0357	39.820	3	154.0357	39.820	3
941	670	941	0:SP2_SP2_SP2	N	Ge	N	3:2:	2:2:2:	2:1:	Ge-3:N-2:	N-2:N-2:N-2:	N-2:N-1:	N(GeNN)(NN)	Ge(NN)3	N(NGe)(N)	N(GeNN)(NN)	Ge(NN)3	N(NGe)(N)	118.7363	2.397	3	118.7363	5.745	3	118.7363	5.745	3	119.0292	4.173	4	119.0292	4.173	4	119.0292	4.173	4
941	670	941	0:SP2_SP2_SP2	N	Ge	N	3:2:	2:2:2:	2:1:	Ge-3:N-2:	N-2:O-2:O-2:	N-2:N-1:	N(GeOO)(NN)	Ge(NN)(OP)2	N(NGe)(N)	N(GeOO)(NN)	Ge(NN)(OP)2	N(NGe)(N)	119.9080	0.000	1	119.9080	0.000	1	119.9080	0.000	1	119.0292	4.173	4	119.0292	4.173	4	119.0292	4.173	4
941	718	941	0:SP2_SP2_SPD5	N	P[4]	N	5:2:	3:3:2:2:2:	2:1:	P[4]-5:N-2:	N[4]-3:N[4]-3:N-2:N-2:N-2:	N-2:N-1:	N(P[4]N[4]2NN)(NN)	P[4](N[4]C[6a]P[4])2(NN)3	N(NP[4])(N)	N(P[4]N[4]2NN)(NN)	P[4](N[4]C[6a]P[4])2(NN)3{3|N<2>,4|C<3>}	N(NP[4])(N)	120.3682	1.389	6	120.3682	1.929	6	120.3682	1.929	6	120.3682	1.929	6	120.3682	1.929	6	120.3682	1.929	6
941	722	941	0:SP2_SP2_SPD5	N	Si[4]	N	5:2:	3:3:2:3:2:	2:1:	Si[4]-5:N-2:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	N-2:N-1:	N(Si[4]N[4,6]C[6a]N[6]S[4])(NN)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN)	N(NSi[4])(N)	N(Si[4]N[4,6]C[6a]N[6]S[4])(NN)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN){1|S<1>,4|H<1>,6|C<3>}	N(NSi[4])(N)	128.7970	0.000	1	128.7970	0.000	1	128.7970	0.000	1	128.7970	0.000	1	128.7970	0.000	1	128.7970	0.000	1
941	722	983	0:SP2_SP1_SPD5	N	Si[4]	C	5:2:	3:3:2:3:2:	2:1:	Si[4]-5:C-2:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	N-2:O-1:	N(Si[4]N[4,6]C[6a]N[6]S[4])(CO)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC)	C(NSi[4])(O)	N(Si[4]N[4,6]C[6a]N[6]S[4])(CO)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC){1|S<1>,4|H<1>,6|C<3>}	C(NSi[4])(O)	155.8270	0.000	1	155.8270	0.000	1	155.8270	0.000	1	160.4065	41.944	2	160.4065	41.944	2	160.4065	41.944	2
941	722	983	0:SP2_SP1_SPD5	N	Si[4]	C	5:2:	3:3:2:3:2:	2:1:	Si[4]-5:C-2:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	N-2:S-1:	N(Si[4]N[4,6]C[6a]N[6]S[4])(CS)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC)	C(NSi[4])(S)	N(Si[4]N[4,6]C[6a]N[6]S[4])(CS)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC){1|S<1>,4|H<1>,6|C<3>}	C(NSi[4])(S)	164.9860	0.000	1	164.9860	0.000	1	164.9860	0.000	1	160.4065	41.944	2	160.4065	41.944	2	160.4065	41.944	2
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	2:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-2:	N[5a]-2:S[5a]-2:N-2:	N(C[5a]N[5a]S[5a])2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5a])	N(C[5a]N[5a]S[5a])2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5a]){2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5a]){2|C<3>}	120.3580	0.000	1	120.3580	0.000	1	120.3580	0.000	1	120.3580	0.000	1	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	N[5a]-3:S[5a]-2:N-2:	N[5a]-2:S[5a]-2:N-2:	N(C[5a]N[5a]S[5a])2	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5a])	N(C[5a]N[5a]S[5a])2	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[5a]){1|O<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5a]){2|C<3>}	119.4710	0.000	1	119.4710	0.000	1	119.4710	0.000	1	119.4710	0.000	1	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:N-2:	N(C[5a]N[5a]2)2	C[5a](N[5a]N[5a]Cd)(N[5a]N[5a])(NC[5a])	C[5a](N[5a]N[5a]Cd)(N[5a]N[5a])(NC[5a])	N(C[5a]N[5a]2)2	C[5a](N[5a]N[5a]Cd)(N[5a]N[5a])(NC[5a])	C[5a](N[5a]N[5a]Cd)(N[5a]N[5a])(NC[5a])	124.6300	0.000	1	124.6300	0.000	1	124.7915	0.052	2	124.7915	0.052	2	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:N-2:	N(C[5a]N[5a]2)2	C[5a](N[5a]N[5a]Zn)(N[5a]N[5a])(NC[5a])	C[5a](N[5a]N[5a]Zn)(N[5a]N[5a])(NC[5a])	N(C[5a]N[5a]2)2	C[5a](N[5a]N[5a]Zn)(N[5a]N[5a])(NC[5a])	C[5a](N[5a]N[5a]Zn)(N[5a]N[5a])(NC[5a])	124.9530	0.000	1	124.9530	0.000	1	124.7915	0.052	2	124.7915	0.052	2	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[5a]-2:N[5a]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC[5a]){1|H<1>,1|N<2>}	120.3540	0.000	1	120.3540	0.000	1	120.3540	0.000	1	120.0560	0.178	2	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]S[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[5a]){1|C<4>,1|H<1>}	119.7580	0.000	1	119.7580	0.000	1	119.7580	0.000	1	120.0560	0.178	2	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[5a]){2|H<1>}	123.4400	0.000	1	123.4400	0.000	1	123.4400	0.000	1	121.4130	8.217	2	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[5a]){1|N<2>}	119.3860	0.000	1	119.3860	0.000	1	119.3860	0.000	1	121.4130	8.217	2	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N-2:	C[5a,5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,5a]N[5a])2	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]V)(NC[5a])	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]V)(NC[5a])	N(C[5a]C[5a,5a]N[5a])2	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]V)(NC[5a]){1|S<2>,2|N<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]V)(NC[5a]){1|S<2>,2|N<2>}	123.2818	0.515	4	123.2818	0.265	4	123.2818	0.265	4	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Al)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Al)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Al)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Al)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	121.5108	0.238	4	121.5108	0.057	4	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5a]){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5a]){1|C<4>,1|N<2>,2|C<3>}	124.3830	0.259	4	124.5735	0.148	6	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	124.9545	0.325	2	124.5735	0.148	6	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	121.5103	0.578	27	121.6793	0.515	38	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|H<1>,1|N<3>,2|C<3>}	122.7270	0.704	4	121.6793	0.515	38	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|N<2>,1|O<2>,2|C<3>}	121.9090	1.065	4	121.6793	0.515	38	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|N<2>,3|C<3>}	121.4960	0.000	1	121.6793	0.515	38	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5a]){1|N<3>,3|C<3>}	121.4985	0.139	2	121.6793	0.515	38	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cr)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cr)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cr)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cr)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	123.2268	0.962	28	123.2268	0.925	28	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a]){1|F<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a]){1|F<1>,1|N<2>,2|C<3>}	120.9723	0.876	4	121.4917	0.612	11	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	121.7886	0.594	7	121.4917	0.612	11	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Fe)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]Fe)(NC[5a]){1|N<2>,3|C<3>}	122.7540	0.004	2	122.7540	0.000	2	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	121.8119	0.478	39	121.8119	0.229	39	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	122.7052	0.470	9	122.7052	0.221	9	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mg)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mg)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mg)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mg)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	123.6543	0.588	20	123.6543	0.346	20	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	123.0246	0.679	11	123.0246	0.460	11	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	120.4990	0.298	4	120.9962	0.711	6	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5a]){1|H<1>,1|N<3>,2|C<3>}	121.9905	0.566	2	120.9962	0.711	6	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	123.1377	0.349	3	123.1377	0.121	3	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	125.0538	1.007	6	125.0362	0.595	10	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a]){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[5a]){1|N<2>,1|O<2>,2|C<3>}	125.0097	0.304	4	125.0362	0.595	10	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	123.8248	1.578	54	123.8248	2.491	54	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ti)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ti)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ti)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ti)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	122.8224	0.549	8	122.8224	0.302	8	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]V)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]V)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]V)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]V)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	122.2823	0.234	12	122.2823	0.055	12	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	123.4171	0.311	17	123.8595	1.862	19	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|H<1>,3|C<3>}	127.6195	0.598	2	123.8595	1.862	19	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:N[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zr)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zr)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zr)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zr)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	121.2702	1.610	5	121.2702	2.591	5	122.8522	2.018	285	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a])	C[5a](N[5a]N[5a]Cu)(C[5a]C[5a]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]N[5a]Cu)(C[5a]C[5a]H)(NC[5a]){1|H<1>}	122.3600	0.000	1	122.3600	0.000	1	122.5703	0.054	3	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(NC[5a]){1|C<3>,1|H<1>}	122.6755	0.203	2	122.6755	0.041	2	122.5703	0.054	3	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ag)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ag)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ag)(NC[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ag)(NC[5a]){1|H<1>,3|C<3>}	127.5153	0.926	3	127.5153	0.857	3	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(NC[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(NC[5a]){1|H<1>,3|C<3>}	126.7680	1.072	5	126.7680	1.148	5	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,3|C<3>}	131.0460	0.000	1	131.0460	0.000	1	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)(NC[5a]){1|Br<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)(NC[5a]){1|Br<1>,3|C<3>}	128.0610	0.147	2	127.1403	2.554	3	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)(NC[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ir)(NC[5a]){1|H<1>,3|C<3>}	125.2990	0.000	1	127.1403	2.554	3	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pd)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pd)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pd)(NC[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pd)(NC[5a]){1|H<1>,3|C<3>}	125.2250	0.000	1	125.2250	0.000	1	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC[5a]){1|Br<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC[5a]){1|Br<1>,3|C<3>}	124.0100	0.000	1	124.0375	0.002	2	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC[5a]){1|Cl<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC[5a]){1|Cl<1>,3|C<3>}	124.0650	0.000	1	124.0375	0.002	2	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Re)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Re)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Re)(NC[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Re)(NC[5a]){1|H<1>,3|C<3>}	127.0005	0.501	2	127.0005	0.251	2	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Rh)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Rh)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Rh)(NC[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Rh)(NC[5a]){1|H<1>,3|C<3>}	124.5237	0.762	6	124.5237	0.580	6	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ru)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ru)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ru)(NC[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ru)(NC[5a]){1|H<1>,3|C<3>}	124.2290	0.000	1	124.2290	0.000	1	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|C<2>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|C<2>,3|C<3>}	127.2413	0.685	4	127.5844	0.929	12	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(NC[5a]){1|H<1>,3|C<3>}	127.7560	1.076	8	127.5844	0.929	12	126.6261	3.044	36	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(NC[5a])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(NC[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(NC[5a]){1|C<3>,1|H<1>}	120.6833	0.390	4	120.6833	0.152	4	120.6833	0.152	4	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(NC[5a])	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(NC[5a]){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]C)(NC[5a]){1|C<3>,1|C<4>}	121.5130	0.379	2	121.5130	0.144	2	121.4332	1.444	15	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(NC[5a])	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(NC[5a]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(NC[5a]){1|C<3>,1|H<1>}	122.3833	0.327	4	122.3833	0.107	4	121.4332	1.444	15	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(NC[5a])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]C)(NC[5a]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(NC[5a]){1|C<3>,1|H<1>}	120.2360	0.000	1	120.2360	0.000	1	121.4332	1.444	15	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(NC[5a])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(NC[5a]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(NC[5a]){1|C<3>,1|H<1>}	120.4277	0.758	6	120.4277	0.575	6	121.4332	1.444	15	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(NC[5a])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(NC[5a]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(NC[5a]){1|C<3>,1|H<1>}	122.6200	0.000	1	122.6200	0.000	1	121.4332	1.444	15	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(NC[5a])	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(NC[5a])	N(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(NC[5a]){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(NC[5a]){1|C<3>,1|H<1>}	123.5170	0.000	1	123.5170	0.000	1	121.4332	1.444	15	123.1599	3.558	347	123.1226	3.628	357	123.1226	3.628	357
941	727	727	0:SP2_SP2_SP2	N	C[5a]	C[5a]	3:3:	3:4:2:	3:4:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-4:N-2:	C[5a,6a]-3:N[5a]-4:N-2:	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd2)(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd2)(NC[5a])	N(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd2)(NC[5a]){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd2)(NC[5a]){1|C<4>,1|N<2>,2|C<3>}	122.9675	0.722	2	122.9675	0.521	2	122.9675	0.521	2	122.9675	0.521	2	123.1226	3.628	357	123.1226	3.628	357
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[6]-3:	N[5a]-3:N[5a]-2:N-2:	C[6]-3:C[6]-3:N-2:	N(C[5a]N[5a]2)(C[6]C[6]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[6])	C[6](C[6]C[6]H)2(NC[5a])	N(C[5a]N[5a]2)(C[6]C[6]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[6]){2|C<3>}	C[6](C[6]C[6]H)2(NC[5a]){1|C<3>,2|C<4>}	125.1960	0.000	1	125.1960	0.000	1	125.1960	0.000	1	125.1960	0.000	1	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Al)(NC[6])	C[6](N[6]C[6]Al)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Al)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(NC[5a]){1|C<3>,2|H<1>}	123.8085	0.232	4	123.8085	0.054	4	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[6])	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	127.8670	1.164	3	127.8670	1.355	3	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6])	C[6](N[6]C[5,6]Co)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6]Co)(C[6]C[6]H)(NC[5a]){1|C<3>,2|C<4>}	123.9010	0.936	2	123.9010	0.876	2	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	124.4790	0.505	2	124.4790	0.255	2	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	125.6453	1.110	8	125.9384	0.997	12	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	126.5247	0.307	4	125.9384	0.997	12	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6])	C[6](N[6]C[5,6]Ir)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6]Ir)(C[6]C[6]H)(NC[5a]){1|C<3>,2|C<4>}	123.4180	0.000	1	123.4180	0.000	1	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6])	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	123.2500	0.798	5	121.6731	5.122	11	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6])	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[5a]){1|C<3>,1|F<1>,1|H<1>}	121.6325	1.385	4	121.6731	5.122	11	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6])	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[5a]){1|C<3>,2|H<1>}	117.8120	0.813	2	121.6731	5.122	11	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6])	C[6](N[6]C[6,6]Li)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6,6]Li)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	124.2550	0.297	2	124.2550	0.088	2	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6])	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	124.3630	0.000	1	123.7417	2.266	3	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6])	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<3>}	122.0250	0.000	1	123.7417	2.266	3	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6])	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6]){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	124.8370	0.000	1	123.7417	2.266	3	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[6])	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Mn)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	127.0570	0.405	4	127.0570	0.164	4	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6])	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	126.6715	0.292	2	126.6715	0.085	2	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Os)(NC[6])	C[6](N[6]C[6]Os)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Os)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	125.8340	0.455	2	125.8340	0.207	2	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[6])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	124.3490	0.000	1	124.3490	0.000	1	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(NC[6])	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[5a]){1|C<3>,2|H<1>}	124.6154	0.723	7	124.6154	0.523	7	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[6])	C[6](N[6]C[6]Re)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[6]){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NC[5a]){1|C<3>,2|H<1>}	126.2960	0.000	1	126.2960	0.000	1	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	125.7845	1.489	25	125.5708	1.683	41	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<5>,1|H<1>}	123.1990	0.000	1	125.5708	1.683	41	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	126.1980	0.603	4	125.5708	1.683	41	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,2|H<1>}	125.0303	0.438	10	125.5708	1.683	41	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ru)(NC[6]){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	125.4950	0.000	1	125.5708	1.683	41	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[6])	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Sn)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	128.9640	0.533	2	128.9640	0.284	2	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[6])	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	126.9367	0.382	4	126.9367	0.146	4	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Pt)(NC[6])	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Pt)(NC[6]){1|C<3>,2|N<2>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[5a]){1|C<3>,2|H<1>}	124.7835	0.182	2	124.7835	0.033	2	125.1722	3.815	106	125.1722	3.815	106	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	4:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[6]-4:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6])	C[6](C[6]C[6]CoH)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]CoH)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	118.2373	0.312	4	118.2373	0.097	4	119.4642	4.592	8	119.4642	4.592	8	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	4:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[6]-4:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6])	C[6](C[6]C[6]FeH)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[6]){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]FeH)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	118.5645	0.753	2	118.5645	0.567	2	119.4642	4.592	8	119.4642	4.592	8	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	4:3:2:	C[5a]-3:C[6]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[6]-4:C[6]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6])	C[6](C[6]C[6]LiH)(C[6]C[6]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Li)(NC[6]){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]LiH)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	122.8180	1.072	2	122.8180	1.149	2	119.4642	4.592	8	119.4642	4.592	8	124.8055	5.977	116	124.8055	5.977	116
941	727	762	0:SP2_SP2_SP2	N	C[5a]	C[6]	3:3:	3:3:2:	4:4:2:	C[5a]-3:C[6]-3:	N[5a,6a]-3:C[5a]-3:N-2:	C[6]-4:C[6]-4:N-2:	N(C[5a]N[5a,6a]C[5a])(C[6]C[6]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[5a])	N(C[5a]N[5a,6a]C[5a])(C[6]C[6]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]){1|O<2>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[5a]){1|C<4>,4|H<1>}	128.2810	0.000	1	128.2810	0.000	1	128.2810	0.000	1	128.2810	0.000	1	124.8055	5.977	116	124.8055	5.977	116
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	2:2:2:	3:2:2:	C[5a]-3:C[5]-3:	N[5a]-2:S[5a]-2:N-2:	C[5]-3:S[5]-2:N-2:	N(C[5a]N[5a]S[5a])(C[5]C[5]S[5])	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[5])	C[5](C[5]N[5]Cl)(S[5]S[5])(NC[5a])	N(C[5a]N[5a]S[5a])(C[5]C[5]S[5])	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[5]){1|C<2>}	C[5](C[5]N[5]Cl)(S[5]S[5])(NC[5a])	117.7890	0.000	1	117.7890	0.000	1	117.7890	0.000	1	117.7890	0.000	1	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	2:2:2:	3:3:2:	C[5a]-3:C[5]-3:	N[5a]-2:S[5a]-2:N-2:	N[5]-3:N[5]-3:N-2:	N(C[5a]N[5a]S[5a])(C[5]N[5]2)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5])	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[5a])	N(C[5a]N[5a]S[5a])(C[5]N[5]2)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5]){2|C<3>}	C[5](N[5]C[5]C)(N[5]C[5]H)(NC[5a]){4|H<1>}	118.2135	0.045	2	118.2135	0.002	2	118.2135	0.002	2	118.2135	0.002	2	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5]N[5]S[5])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[5])	C[5](N[5]C[5]C)(S[5]C[5])(NC[5a])	N(C[5]N[5]S[5])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[5]){2|C<3>}	C[5](N[5]C[5]C)(S[5]C[5])(NC[5a]){4|H<1>}	118.5800	0.000	1	118.5800	0.000	1	118.5800	0.000	1	122.9760	14.497	3	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5]-3:	N[5a]-3:N[5a]-2:N-2:	N[5]-3:N[5]-2:N-2:	N(C[5a]N[5a]2)(C[5]N[5]2)	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(NC[5])	C[5](N[5]N[5]Mn)(N[5]N[5])(NC[5a])	N(C[5a]N[5a]2)(C[5]N[5]2)	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(NC[5])	C[5](N[5]N[5]Mn)(N[5]N[5])(NC[5a]){1|Mn<6>}	125.1740	0.088	2	125.1740	0.008	2	125.1740	0.008	2	122.9760	14.497	3	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:2:2:	3:3:2:	C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(NC[5a])	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NC[5]){1|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(NC[5a]){1|N<2>,3|C<3>,3|H<1>}	122.2740	0.000	1	122.2740	0.000	1	122.2740	0.000	1	122.2740	0.000	1	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:N-2:	O[5]-2:S[5]-2:N-2:	N(C[5a]C[5a,6a]C[5a])(C[5]O[5]S[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NC[5])	C[5](O[5]C[5,6])(S[5]C[5,6])(NC[5a])	N(C[5a]C[5a,6a]C[5a])(C[5]O[5]S[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NC[5]){1|C<4>,1|O<2>,2|C<3>}	C[5](O[5]C[5,6])(S[5]C[5,6])(NC[5a]){1|C<4>,1|O<2>,2|H<1>}	122.4520	0.000	1	122.4520	0.000	1	122.4520	0.000	1	122.4520	0.000	1	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NC[5]){1|C<4>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	122.3055	0.039	2	122.3055	0.002	2	122.3345	0.844	6	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5]){1|C<3>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	122.7650	0.140	2	122.7650	0.020	2	122.3345	0.844	6	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NC[5]){1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	123.2570	0.000	1	121.9330	3.506	2	122.3345	0.844	6	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NC[5]){1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<3>,2|C<3>}	120.6090	0.000	1	121.9330	3.506	2	122.3345	0.844	6	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	122.5290	0.907	3	123.0025	2.208	16	123.0025	2.208	16	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<3>,2|C<3>}	124.2145	0.374	2	123.0025	2.208	16	123.0025	2.208	16	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,3|C<3>}	122.3423	3.387	3	123.0025	2.208	16	123.0025	2.208	16	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|N<2>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|N<2>,1|O<2>,2|C<3>}	123.2263	0.177	6	123.0025	2.208	16	123.0025	2.208	16	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|N<2>,1|S<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|N<2>,1|S<2>,2|C<3>}	122.8195	1.718	2	123.0025	2.208	16	123.0025	2.208	16	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[5]-3:O[5]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]N[5]O[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5])	C[5](N[5]C[5]Zn)(O[5]C[5])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]N[5]O[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](N[5]C[5]Zn)(O[5]C[5])(NC[5a]){1|C<4>,3|H<1>}	120.2845	0.709	2	120.2845	0.503	2	120.2845	0.503	2	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]N[5]S[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5])	C[5](N[5]C[5]Fe)(S[5]C[5])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]N[5]S[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](N[5]C[5]Fe)(S[5]C[5])(NC[5a]){2|H<1>}	121.7890	0.156	2	121.7890	0.024	2	121.8650	0.833	7	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]N[5]S[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[5])	C[5](N[5]C[5]Pd)(S[5]C[5])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]N[5]S[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](N[5]C[5]Pd)(S[5]C[5])(NC[5a]){1|C<4>,1|H<1>}	121.2773	0.232	3	121.2773	0.054	3	121.8650	0.833	7	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[5]-3:S[5]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]N[5]S[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5])	C[5](N[5]C[5]Re)(S[5]C[5])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]N[5]S[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5]){1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[5]Re)(S[5]C[5])(NC[5a]){2|H<1>}	122.8225	1.408	2	122.8225	1.982	2	121.8650	0.833	7	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	S[5]-3:N[5]-2:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]N[5]S[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[5])	C[5](S[5]C[5]Pd)(N[5]C[5])(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]N[5]S[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](S[5]C[5]Pd)(N[5]C[5])(NC[5a]){1|C<4>,1|H<1>}	124.1330	0.000	1	124.1330	0.000	1	124.1330	0.000	1	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:N-2:	C[5]-3:N[5]-2:N-2:	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a])	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a]){1|C<4>,1|H<1>,2|C<3>}	122.5900	0.000	1	123.4618	3.975	5	122.8712	2.537	9	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:N-2:	C[5]-3:N[5]-2:N-2:	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a])	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a]){1|H<1>,3|C<3>}	123.6797	2.232	4	123.4618	3.975	5	122.8712	2.537	9	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:N-2:	C[5]-3:N[5]-2:N-2:	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5])	C[5](C[5]C[5]H)(N[5]C[5])(NC[5a])	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(NC[5a]){1|H<1>,1|N<2>}	122.0455	0.162	2	122.0455	0.026	2	122.8712	2.537	9	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:N-2:	C[5]-3:N[5]-2:N-2:	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5])	C[5](C[5]C[5]S)(N[5]C[5])(NC[5a])	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]S)(N[5]C[5])(NC[5a]){1|N<2>,1|S<2>}	122.2205	0.646	2	122.2205	0.417	2	122.8712	2.537	9	122.5767	2.091	41	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5,6a]-3:C[5]-3:N-2:	N(C[5]C[5,6a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[5a])	N(C[5]C[5,6a]C[5])(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[5]){1|C<3>,1|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[5a]){2|C<3>,2|H<1>}	121.2800	0.000	1	121.2800	0.000	1	121.2800	0.000	1	120.0990	7.568	18	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.3685	0.054	2	123.1012	0.775	4	119.8767	8.055	16	120.0990	7.568	18	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cd)(NC[5]){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cd)(NC[5a]){1|H<1>,2|C<3>,2|N<2>}	123.8340	0.416	2	123.1012	0.775	4	119.8767	8.055	16	120.0990	7.568	18	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	115.8830	0.000	2	116.5652	0.633	4	119.8767	8.055	16	120.0990	7.568	18	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a]){1|H<1>,2|C<3>,2|N<2>}	117.2475	0.193	2	116.5652	0.633	4	119.8767	8.055	16	120.0990	7.568	18	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Fe)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[5a]){1|H<1>,2|C<3>,2|N<2>}	118.2745	0.028	2	118.2745	0.001	2	119.8767	8.055	16	120.0990	7.568	18	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(NC[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	117.6840	0.109	2	117.6840	0.012	2	119.8767	8.055	16	120.0990	7.568	18	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(NC[5a]){1|H<1>,1|O<1>,2|C<3>}	121.9845	0.559	2	121.9845	0.313	2	119.8767	8.055	16	120.0990	7.568	18	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Zn)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.7375	0.511	2	121.7375	0.261	2	119.8767	8.055	16	120.0990	7.568	18	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[5]-3:C[5]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5])	C[5](N[5]N[5]Cu)(C[5]C[5]H)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5](N[5]N[5]Cu)(C[5]C[5]H)(NC[5a]){2|H<1>}	122.4750	0.000	1	122.4750	0.000	1	122.4750	0.000	1	120.0990	7.568	18	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:N-2:	C[5]-4:N[5]-2:N-2:	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5])	C[5](C[5]C[5]HH)(N[5]C[5])(NC[5a])	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5])(NC[5a]){1|C<3>,2|H<1>}	124.0830	0.000	1	123.6810	0.149	3	123.6810	0.149	3	123.6810	0.149	3	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:N-2:	C[5]-4:N[5]-2:N-2:	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5])	C[5](C[5]C[5]HH)(N[5]C[5])(NC[5a])	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5])(NC[5a]){1|N<2>,2|H<1>}	123.4800	0.238	2	123.6810	0.149	3	123.6810	0.149	3	123.6810	0.149	3	121.7846	5.395	71	121.7846	5.395	71
941	727	818	0:SP2_SP2_SP2	N	C[5a]	C[5]	3:3:	3:3:2:	4:3:2:	C[5a]-3:C[5]-3:	N[5a]-3:C[5a]-3:N-2:	C[5]-4:N[5]-3:N-2:	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(NC[5])	C[5](C[5]C[5]CH)(N[5]C[5]Ni)(NC[5a])	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(NC[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]Ni)(NC[5a]){1|C<3>,2|H<1>}	120.3670	0.000	1	120.3670	0.000	1	120.3670	0.000	1	120.3670	0.000	1	121.7846	5.395	71	121.7846	5.395	71
941	727	846	0:SP2_SP2_SP2	N	C[5a]	C[4]	3:3:	3:2:2:	3:2:2:	C[4]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[4]-3:S[4]-2:N-2:	N(C[4]N[4]S[4])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[4])	C[4](N[4]C[4]C[6])(S[4]C[4])(NC[5a])	N(C[4]N[4]S[4])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[4]){2|C<3>}	C[4](N[4]C[4]C[6])(S[4]C[4])(NC[5a]){2|C<4>,3|H<1>}	114.3950	0.587	2	114.3950	0.344	2	114.3950	0.344	2	114.3950	0.344	2	114.3950	0.344	2	114.3950	0.344	2
941	727	863	0:SP2_SP2_SP2	N	C[5a]	O	3:1:	3:2:2:	2:	C[5a]-3:O-1:	C[5a]-3:S[5a]-2:N-2:	N-2:	N(C[5a]C[5a]S[5a])(O)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(NO)	O(NC[5a])	N(C[5a]C[5a]S[5a])(O)	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(NO){1|S<2>,3|C<3>}	O(NC[5a])	113.3570	0.000	1	113.3570	0.000	1	113.3570	0.000	1	113.3570	0.000	1	115.4829	1.541	7	115.4829	1.541	7
941	727	863	0:SP2_SP2_SP2	N	C[5a]	O	3:1:	3:3:2:	2:	C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-2:	N-2:	N(C[5a]C[5a]2)(O)	C[5a](C[5a]N[5a]C)2(NO)	O(NC[5a])	N(C[5a]C[5a]2)(O)	C[5a](C[5a]N[5a]C)2(NO){1|H<1>}	O(NC[5a])	115.2100	0.141	2	115.2100	0.020	2	115.1740	0.014	3	115.8372	0.795	6	115.4829	1.541	7	115.4829	1.541	7
941	727	863	0:SP2_SP2_SP2	N	C[5a]	O	3:1:	3:3:2:	2:	C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-2:	N-2:	N(C[5a]C[5a]2)(O)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NO)	O(NC[5a])	N(C[5a]C[5a]2)(O)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NO){1|C<4>}	O(NC[5a])	115.1020	0.000	1	115.1020	0.000	1	115.1740	0.014	3	115.8372	0.795	6	115.4829	1.541	7	115.4829	1.541	7
941	727	863	0:SP2_SP2_SP2	N	C[5a]	O	3:1:	3:3:2:	2:	C[5a]-3:O-1:	N[5a,6a]-3:C[5a]-3:N-2:	N-2:	N(C[5a]N[5a,6a]C[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO)	O(NC[5a])	N(C[5a]N[5a,6a]C[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO){1|H<1>,1|N<2>,3|C<3>}	O(NC[5a])	115.5660	0.000	1	116.5003	0.655	3	116.5003	0.655	3	115.8372	0.795	6	115.4829	1.541	7	115.4829	1.541	7
941	727	863	0:SP2_SP2_SP2	N	C[5a]	O	3:1:	3:3:2:	2:	C[5a]-3:O-1:	N[5a,6a]-3:C[5a]-3:N-2:	N-2:	N(C[5a]N[5a,6a]C[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO)	O(NC[5a])	N(C[5a]N[5a,6a]C[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO){1|H<1>,4|C<3>}	O(NC[5a])	116.9675	0.022	2	116.5003	0.655	3	116.5003	0.655	3	115.8372	0.795	6	115.4829	1.541	7	115.4829	1.541	7
941	727	893	0:SP2_SP2_SP2	N	C[5a]	O	3:2:	3:2:2:	2:1:	C[5a]-3:O-2:	C[5a]-3:S[5a]-2:N-2:	N-2:H-1:	N(C[5a]C[5a]S[5a])(OH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NO)	O(NC[5a])(H)	N(C[5a]C[5a]S[5a])(OH)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NO){2|C<3>}	O(NC[5a])(H)	108.9780	0.000	1	108.9780	0.000	1	109.1155	0.038	2	109.1155	0.038	2	109.1266	1.342	5	109.1266	1.342	5
941	727	893	0:SP2_SP2_SP2	N	C[5a]	O	3:2:	3:2:2:	2:1:	C[5a]-3:O-2:	C[5a]-3:S[5a]-2:N-2:	N-2:H-1:	N(C[5a]C[5a]S[5a])(OH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NO)	O(NC[5a])(H)	N(C[5a]C[5a]S[5a])(OH)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NO){1|C<3>,1|H<1>}	O(NC[5a])(H)	109.2530	0.000	1	109.2530	0.000	1	109.1155	0.038	2	109.1155	0.038	2	109.1266	1.342	5	109.1266	1.342	5
941	727	893	0:SP2_SP2_SP2	N	C[5a]	O	3:2:	3:2:2:	2:3:	C[5a]-3:O-2:	C[5a,6a]-3:O[5a]-2:N-2:	N-2:C-3:	N(C[5a]C[5a,6a]O[5a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NO)	O(NC[5a])(CCO)	N(C[5a]C[5a,6a]O[5a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NO){1|H<1>,3|C<3>}	O(NC[5a])(CCO)	107.3420	0.000	1	107.3420	0.000	1	107.3420	0.000	1	107.3420	0.000	1	109.1266	1.342	5	109.1266	1.342	5
941	727	893	0:SP2_SP2_SP2	N	C[5a]	O	3:2:	3:2:2:	2:4:	C[5a]-3:O-2:	C[5a,6a]-3:O[5a]-2:N-2:	N-2:C-4:	N(C[5a]C[5a,6a]O[5a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NO)	O(NC[5a])(CH3)	N(C[5a]C[5a,6a]O[5a])(OC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NO){1|H<1>,3|C<3>}	O(NC[5a])(CH3)	110.5370	0.000	1	110.5370	0.000	1	110.5370	0.000	1	110.5370	0.000	1	109.1266	1.342	5	109.1266	1.342	5
941	727	893	0:SP2_SP2_SP2	N	C[5a]	O	3:2:	3:3:2:	2:1:	C[5a]-3:O-2:	C[5a,6a]-3:N[5a]-3:N-2:	N-2:H-1:	N(C[5a]C[5a,6a]N[5a])(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NO)	O(NC[5a])(H)	N(C[5a]C[5a,6a]N[5a])(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NO){1|H<1>,1|N<2>,2|C<3>}	O(NC[5a])(H)	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.1266	1.342	5	109.1266	1.342	5
941	727	901	0:SP2_SP1_SP2	N	C[5a]	N	3:1:	2:2:2:	2:	C[5a]-3:N-1:	N[5a]-2:N[5a]-2:N-2:	N-2:	N(C[5a]N[5a]2)(N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N(NC[5a])	N(C[5a]N[5a]2)(N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|C<4>,1|N<2>}	N(NC[5a])	179.4510	0.000	1	179.4510	0.000	1	179.4510	0.000	1	179.4510	0.000	1	174.6130	7.709	5	174.6130	7.709	5
941	727	901	0:SP2_SP1_SP2	N	C[5a]	N	3:1:	3:3:2:	2:	C[5a]-3:N-1:	C[5a,6a]-3:C[5a]-3:N-2:	N-2:	N(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN)	N(NC[5a])	N(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN){1|C<4>,1|H<1>,2|C<3>}	N(NC[5a])	173.4035	0.725	4	173.4035	0.526	4	173.4035	0.526	4	173.4035	0.526	4	174.6130	7.709	5	174.6130	7.709	5
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	2:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-2:O-2:O-1:	N(C[5a]N[5a]S[5a])(COO)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC)	C(NC[5a])(OC)(O)	N(C[5a]N[5a]S[5a])(COO)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC){1|S<4>}	C(NC[5a])(OC)(O)	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	2:2:2:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-2:S-2:S-2:	N(C[5a]N[5a]S[5a])(CSS)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(NC[5a])(SC)2	N(C[5a]N[5a]S[5a])(CSS)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<3>,1|H<1>}	C(NC[5a])(SC)2	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	2:3:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-2:N-3:H-1:	N(C[5a]N[5a]S[5a])(CHN)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(NC[5a])(NCC)(H)	N(C[5a]N[5a]S[5a])(CHN)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|H<1>,1|P<3>}	C(NC[5a])(NCC)(H)	115.1120	0.000	1	115.1120	0.000	1	117.5690	12.074	2	117.5690	12.074	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	2:3:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-2:N-3:H-1:	N(C[5a]N[5a]S[5a])(CHN)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC)	C(NC[5a])(NCC)(H)	N(C[5a]N[5a]S[5a])(CHN)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC){1|P<3>}	C(NC[5a])(NCC)(H)	120.0260	0.000	1	120.0260	0.000	1	117.5690	12.074	2	117.5690	12.074	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	2:3:3:	C[5a]-3:C-3:	N[5a]-2:O[5a]-2:N-2:	N-2:N-3:N-3:	N(C[5a]N[5a]O[5a])(CNN)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC)	C(NC[5a])(NHH)2	N(C[5a]N[5a]O[5a])(CNN)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC){1|O<2>}	C(NC[5a])(NHH)2	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	119.7704	0.299	5	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	2:3:3:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-2:N-3:N-3:	N(C[5a]N[5a]S[5a])(CNN)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC)	C(NC[5a])(NHH)2	N(C[5a]N[5a]S[5a])(CNN)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC){2|C<3>}	C(NC[5a])(NHH)2	120.0050	0.069	2	120.0050	0.005	2	119.9370	0.214	4	119.7704	0.299	5	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	2:3:3:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-2:N-3:N-3:	N(C[5a]N[5a]S[5a])(CNN)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(NC[5a])(NHH)2	N(C[5a]N[5a]S[5a])(CNN)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	C(NC[5a])(NHH)2	119.8690	0.786	2	119.8690	0.618	2	119.9370	0.214	4	119.7704	0.299	5	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	2:4:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-2:C-4:O-1:	N(C[5a]N[5a]S[5a])(CCO)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(NC[5a])(CCHH)(O)	N(C[5a]N[5a]S[5a])(CCO)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	C(NC[5a])(CCHH)(O)	124.5250	0.000	1	124.5250	0.000	1	124.3490	0.233	3	124.3490	0.233	3	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	2:4:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-2:C-4:O-1:	N(C[5a]N[5a]S[5a])(CCO)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC)	C(NC[5a])(CH3)(O)	N(C[5a]N[5a]S[5a])(CCO)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC){1|S<2>}	C(NC[5a])(CH3)(O)	124.7190	0.000	1	124.2610	0.420	2	124.3490	0.233	3	124.3490	0.233	3	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	2:4:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-2:C-4:O-1:	N(C[5a]N[5a]S[5a])(CCO)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC)	C(NC[5a])(CH3)(O)	N(C[5a]N[5a]S[5a])(CCO)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC){1|S<4>}	C(NC[5a])(CH3)(O)	123.8030	0.000	1	124.2610	0.420	2	124.3490	0.233	3	124.3490	0.233	3	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	2:4:3:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-2:C-4:N-3:	N(C[5a]N[5a]S[5a])(CCN)	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(NC)	C(NC[5a])(CH3)(NCC)	N(C[5a]N[5a]S[5a])(CCN)	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(NC){1|C<3>,1|C<4>}	C(NC[5a])(CH3)(NCC)	120.0830	0.000	1	120.0830	0.000	1	120.0830	0.000	1	120.0830	0.000	1	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]N[5a]2)(CC[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]N[5a]2)(CC[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){2|H<1>}	C(C[5a]C[5a]S[5a])(NC[5a])(H)	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:N[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]2)(CC[6a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]2)(CC[6a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(NC[5a])(H)	116.0820	0.000	1	118.0255	7.554	2	118.0255	7.554	2	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:N[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]2)(CC[6a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]2)(CC[6a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){2|H<1>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.9690	0.000	1	118.0255	7.554	2	118.0255	7.554	2	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:N[5a]-2:N-2:	N[6]-3:N-2:H-1:	N(C[5a]N[5a]2)(CN[6]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	C(N[6]C[6]2)(NC[5a])(H)	N(C[5a]N[5a]2)(CN[6]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){1|C<3>,1|N<3>}	C(N[6]C[6]2)(NC[5a])(H)	116.5230	0.000	1	116.5230	0.000	1	116.5230	0.000	1	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[5a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[5a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC){2|C<3>}	C(C[5a]C[5a]S[5a])(NC[5a])(H)	118.1190	0.000	1	118.1190	0.000	1	118.8950	2.224	4	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	C(C[5a]C[5a]S[5a])(NC[5a])(H)	118.2535	1.003	2	118.2535	1.007	2	118.8950	2.224	4	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[5a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[5a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC){1|C<3>}	C(C[5a]C[5a]S[5a])(NC[5a])(H)	120.9540	0.000	1	120.9540	0.000	1	118.8950	2.224	4	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	117.4960	0.718	2	117.4960	0.516	2	119.1265	1.456	37	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC){2|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.4734	1.633	11	119.4734	2.667	11	119.1265	1.456	37	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	118.5133	0.071	3	118.5133	0.005	3	119.1265	1.456	37	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.2930	0.652	3	119.1094	0.996	14	119.1265	1.456	37	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	117.7545	0.716	2	119.1094	0.996	14	119.1265	1.456	37	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.4827	0.258	3	119.1094	0.996	14	119.1265	1.456	37	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	121.4270	0.000	1	119.1094	0.996	14	119.1265	1.456	37	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){2|C<4>}	C(C[6a]C[6a]2)(NC[5a])(H)	118.9533	0.763	3	119.1094	0.996	14	119.1265	1.456	37	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){2|H<1>}	C(C[6a]C[6a]2)(NC[5a])(H)	118.7045	0.571	2	119.1094	0.996	14	119.1265	1.456	37	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC){1|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.3816	0.783	5	119.3443	0.696	7	119.1265	1.456	37	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(CC[6a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC){1|N<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.2510	1.304	2	119.3443	0.696	7	119.1265	1.456	37	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-3:N-2:O-1:	N(C[5a]N[5a]S[5a])(CNO)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(NC[6a]H)(NC[5a])(O)	N(C[5a]N[5a]S[5a])(CNO)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	C(NC[6a]H)(NC[5a])(O)	129.5590	0.000	1	129.5590	0.000	1	129.5590	0.000	1	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-3:N-2:S-1:	N(C[5a]N[5a]S[5a])(CNS)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(NC[6a]H)(NC[5a])(S)	N(C[5a]N[5a]S[5a])(CNS)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	C(NC[6a]H)(NC[5a])(S)	122.6260	0.000	1	122.6260	0.000	1	122.6260	0.000	1	119.2506	4.392	47	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:2:3:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	N-3:N-2:N-3:	N(C[5a]N[5a]S[5a])(CNN)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(NC[6a]H)(NC[5a])(NCH)	N(C[5a]N[5a]S[5a])(CNN)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	C(NC[6a]H)(NC[5a])(NCH)	119.9510	0.000	1	119.9510	0.000	1	119.9510	0.000	1	119.9510	0.000	1	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:3:2:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-3:N-2:	N(C[5a]N[5a]S[5a])(CC[6a]N)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC)	C(C[6a]C[6a]2)(NC[6a]H)(NC[5a])	N(C[5a]N[5a]S[5a])(CC[6a]N)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC){2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(NC[5a])	120.5210	0.000	1	120.5210	0.000	1	121.2955	1.200	2	121.2955	1.200	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	2:2:2:	3:3:2:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-3:N-2:	N(C[5a]N[5a]S[5a])(CC[6a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(NC[5a])	N(C[5a]N[5a]S[5a])(CC[6a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){2|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(NC[5a])	122.0700	0.000	1	122.0700	0.000	1	121.2955	1.200	2	121.2955	1.200	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:2:1:	C[5a]-3:C-3:	C[5a,6a]-3:S[5a]-2:N-2:	N-2:O-2:O-1:	N(C[5a]C[5a,6a]S[5a])(COO)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC)	C(NC[5a])(OC)(O)	N(C[5a]C[5a,6a]S[5a])(COO)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC){1|C<4>,3|C<3>}	C(NC[5a])(OC)(O)	119.6840	0.000	1	118.0513	3.420	10	118.0513	3.420	10	118.0513	3.420	10	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:2:1:	C[5a]-3:C-3:	C[5a,6a]-3:S[5a]-2:N-2:	N-2:O-2:O-1:	N(C[5a]C[5a,6a]S[5a])(COO)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC)	C(NC[5a])(OC)(O)	N(C[5a]C[5a,6a]S[5a])(COO)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC){1|H<1>,3|C<3>}	C(NC[5a])(OC)(O)	117.4542	0.561	5	118.0513	3.420	10	118.0513	3.420	10	118.0513	3.420	10	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:2:1:	C[5a]-3:C-3:	C[5a,6a]-3:S[5a]-2:N-2:	N-2:O-2:O-1:	N(C[5a]C[5a,6a]S[5a])(COO)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC)	C(NC[5a])(OC)(O)	N(C[5a]C[5a,6a]S[5a])(COO)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(NC){1|O<2>,3|C<3>}	C(NC[5a])(OC)(O)	118.3895	2.864	4	118.0513	3.420	10	118.0513	3.420	10	118.0513	3.420	10	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:3:1:	C[5a]-3:C-3:	C[5a]-3:O[5a]-2:N-2:	N-2:C-3:H-1:	N(C[5a]C[5a]O[5a])(CCH)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC)	C(NC[5a])(CCO)(H)	N(C[5a]C[5a]O[5a])(CCH)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC){1|H<1>,3|C<3>}	C(NC[5a])(CCO)(H)	119.5780	0.000	1	119.5780	0.000	1	119.5780	0.000	1	118.2554	3.141	7	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:3:1:	C[5a]-3:C-3:	C[5a]-3:O[5a]-2:N-2:	N-2:N-3:H-1:	N(C[5a]C[5a]O[5a])(CHN)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NC)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]O[5a])(CHN)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NC){4|C<3>}	C(NC[5a])(NCC)(H)	120.4360	0.000	1	120.4360	0.000	1	120.4360	0.000	1	118.2554	3.141	7	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:3:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	N-2:N-3:H-1:	N(C[5a]C[5a]S[5a])(CHN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]S[5a])(CHN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|C<4>}	C(NC[5a])(NCC)(H)	118.1800	1.500	2	118.1368	1.038	4	118.1368	1.038	4	118.2554	3.141	7	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:3:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	N-2:N-3:H-1:	N(C[5a]C[5a]S[5a])(CHN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]S[5a])(CHN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|H<1>}	C(NC[5a])(NCC)(H)	118.0935	0.924	2	118.1368	1.038	4	118.1368	1.038	4	118.2554	3.141	7	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:3:1:	C[5a]-3:C-3:	N[5a]-3:N[5a]-2:N-2:	N-2:N-3:H-1:	N(C[5a]N[5a]2)(CHN)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC)	C(NC[5a])(NCC)(H)	N(C[5a]N[5a]2)(CHN)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC){2|C<3>}	C(NC[5a])(NCC)(H)	115.2270	0.000	1	115.2270	0.000	1	115.2270	0.000	1	118.2554	3.141	7	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:3:2:	C[5a]-3:C-3:	C[5a]-3:O[5a]-2:N-2:	N-2:N-3:S-2:	N(C[5a]C[5a]O[5a])(CNS)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC)	C(NC[5a])(NCN)(SC)	N(C[5a]C[5a]O[5a])(CNS)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC){1|C<3>}	C(NC[5a])(NCN)(SC)	115.5610	0.000	1	115.5610	0.000	1	115.5610	0.000	1	115.5610	0.000	1	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:3:3:	C[5a]-3:C-3:	N[5a]-3:N[5a]-2:N-2:	N-2:N-3:N-3:	N(C[5a]N[5a]2)(CNN)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	C(NC[5a])(NHH)2	N(C[5a]N[5a]2)(CNN)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	C(NC[5a])(NHH)2	120.0870	0.348	2	120.0870	0.121	2	120.0870	0.121	2	120.0870	0.121	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:4:1:	C[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-2:	N-2:C-4:O-1:	N(C[5a]C[5a]N[5a])(CCO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC)	C(NC[5a])(CF3)(O)	N(C[5a]C[5a]N[5a])(CCO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC){1|Ir<6>,1|C<3>}	C(NC[5a])(CF3)(O)	122.9480	0.000	1	122.9480	0.000	1	122.9480	0.000	1	124.1425	2.854	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:4:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	N-2:C-4:O-1:	N(C[5a]C[5a]S[5a])(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(NC[5a])(CHHN)(O)	N(C[5a]C[5a]S[5a])(CCO)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	C(NC[5a])(CHHN)(O)	125.3370	0.000	1	125.3370	0.000	1	125.3370	0.000	1	124.1425	2.854	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:4:2:	C[5a]-3:C-3:	C[5a]-3:O[5a]-2:N-2:	N-2:C-4:N-2:	N(C[5a]C[5a]O[5a])(CCN)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NC)	C(NC[5a])(CH3)(NC)	N(C[5a]C[5a]O[5a])(CCN)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NC){3|C<3>}	C(NC[5a])(CH3)(NC)	123.7900	0.000	1	123.7900	0.000	1	123.7900	0.000	1	126.5345	15.065	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	2:4:2:	C[5a]-3:C-3:	C[5a]-3:O[5a]-2:N-2:	N-2:C-4:O-2:	N(C[5a]C[5a]O[5a])(CCO)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NC)	C(NC[5a])(CF3)(OC)	N(C[5a]C[5a]O[5a])(CCO)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NC){3|C<3>}	C(NC[5a])(CF3)(OC)	129.2790	0.000	1	129.2790	0.000	1	129.2790	0.000	1	126.5345	15.065	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[5a])(H)	120.3380	0.000	1	120.3380	0.000	1	118.7535	1.499	4	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NC){1|C<4>}	C(C[6a]C[6a]2)(NC[5a])(H)	117.8295	0.457	2	118.2253	0.575	3	118.7535	1.499	4	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NC){1|H<1>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.0170	0.000	1	118.2253	0.575	3	118.7535	1.499	4	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:O[5a]-2:N-2:	C[6a]-3:N-2:Cl-1:	N(C[5a]C[5a]O[5a])(CC[6a]Cl)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(Cl)	N(C[5a]C[5a]O[5a])(CC[6a]Cl)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[5a])(Cl)	131.3820	0.000	1	131.3820	0.000	1	131.3820	0.000	1	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:O[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NC){4|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.4685	0.295	2	119.4685	0.087	2	120.0864	0.883	13	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:O[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC){2|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	120.0905	0.508	2	120.0905	0.258	2	120.0864	0.883	13	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:O[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC)	C(C[6a]C[6a,6a]2)(NC[5a])(H)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC){1|C<4>}	C(C[6a]C[6a,6a]2)(NC[5a])(H)	121.5770	0.000	1	121.5770	0.000	1	120.0864	0.883	13	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:O[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC){1|C<4>}	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	122.2510	0.000	1	122.2510	0.000	1	120.0864	0.883	13	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:O[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]O[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC){1|C<4>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.7396	0.538	7	119.7396	0.290	7	120.0864	0.883	13	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC)	C(C[5a]C[5a,6a]C[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC){2|C<4>}	C(C[5a]C[5a,6a]C[5a])(NC[5a])(H)	118.8475	0.907	2	118.8475	0.823	2	119.8888	1.014	21	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC){2|C<4>}	C(C[5a]C[5a]S[5a])(NC[5a])(H)	119.5120	0.307	2	119.5120	0.094	2	119.8888	1.014	21	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[5a]C[5a,6]S[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|N<2>}	C(C[5a]C[5a,6]S[5a])(NC[5a])(H)	122.1690	0.000	1	122.1690	0.000	1	119.8888	1.014	21	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[5a]C[5a]N[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|N<2>}	C(C[5a]C[5a]N[5a])(NC[5a])(H)	120.3667	1.014	6	120.3667	1.029	6	119.8888	1.014	21	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[5a]C[5a]O[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|N<2>}	C(C[5a]C[5a]O[5a])(NC[5a])(H)	120.2325	0.396	4	119.8620	0.804	5	119.8888	1.014	21	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[5a]C[5a]O[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|N<3>}	C(C[5a]C[5a]O[5a])(NC[5a])(H)	118.3800	0.000	1	119.8620	0.804	5	119.8888	1.014	21	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|N<2>}	C(C[5a]C[5a]S[5a])(NC[5a])(H)	119.4145	0.575	4	119.4534	0.255	5	119.8888	1.014	21	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|N<3>}	C(C[5a]C[5a]S[5a])(NC[5a])(H)	119.6090	0.000	1	119.4534	0.255	5	119.8888	1.014	21	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC){2|C<4>}	C(C[6a]C[6a]2)(NC[5a])(H)	120.9349	0.893	20	120.9349	0.797	20	121.0508	0.997	29	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|C<4>}	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	121.6210	0.000	1	121.5340	0.227	4	121.0508	0.997	29	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){2|C<4>}	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	121.5050	0.579	3	121.5340	0.227	4	121.0508	0.997	29	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(NC[5a])(H)	120.2030	0.000	1	121.2230	2.081	2	121.0508	0.997	29	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){2|C<4>}	C(C[6a]C[6a]2)(NC[5a])(H)	122.2430	0.000	1	121.2230	2.081	2	121.0508	0.997	29	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[6a]C[6a]N[6a])(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5a])(H)	118.9000	0.000	1	118.9000	0.000	1	121.0508	0.997	29	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]N[5a]H)(S[5a]N[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]N[5a]H)(S[5a]N[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	121.2190	0.000	1	121.2190	0.000	1	121.0508	0.997	29	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]S[5a])(CC[6a]H)	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(NC){1|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	123.0750	0.000	1	123.0750	0.000	1	121.0508	0.997	29	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]N[5a]2)(CC[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC)	C(C[5a]C[5a]N[5a])(NC[5a])(H)	N(C[5a]N[5a]2)(CC[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC){1|H<1>}	C(C[5a]C[5a]N[5a])(NC[5a])(H)	117.8000	0.000	1	117.8000	0.000	1	117.8000	0.000	1	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]2)(CC[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]2)(CC[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.4487	0.704	3	119.4487	0.496	3	118.5408	3.628	4	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a]2)(CC[6a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a]2)(CC[6a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC){1|N<2>}	C(C[6a]C[6a]2)(NC[5a])(H)	115.8170	0.000	1	115.8170	0.000	1	118.5408	3.628	4	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5a]N[5a]2)(CC[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	C(C[6a]C[6a]2)(NC[5a])(O)	N(C[5a]N[5a]2)(CC[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	C(C[6a]C[6a]2)(NC[5a])(O)	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:S-1:	N(C[5a]N[5a]2)(CC[6a]S)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	C(C[6a]C[6a]2)(NC[5a])(S)	N(C[5a]N[5a]2)(CC[6a]S)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	C(C[6a]C[6a]2)(NC[5a])(S)	124.1530	1.376	2	124.1530	1.893	2	124.1530	1.893	2	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:O-1:	N(C[5a]N[5a]S[5a])(CC[6a]O)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(O)	N(C[5a]N[5a]S[5a])(CC[6a]O)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC){1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[5a])(O)	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	120.4189	3.760	77	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	3:3:2:	C[5a]-3:C-3:	N[5a]-3:N[5a]-2:N-2:	N-3:N-3:N-2:	N(C[5a]N[5a]2)(CNN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC)	C(NC[6a]H)2(NC[5a])	N(C[5a]N[5a]2)(CNN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC){2|C<3>}	C(NC[6a]H)2(NC[5a])	119.8250	0.000	1	119.8250	0.000	1	119.8250	0.000	1	119.8250	0.000	1	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:2:2:	4:2:1:	C[5a]-3:C-3:	N[5a]-3:N[5a]-2:N-2:	C[5]-4:N-2:O-1:	N(C[5a]N[5a]2)(CC[5]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	C(C[5]C[5]N[5]H)(NC[5a])(O)	N(C[5a]N[5a]2)(CC[5]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	C(C[5]C[5]N[5]H)(NC[5a])(O)	125.7600	0.000	1	125.7600	0.000	1	125.7600	0.000	1	125.7600	0.000	1	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:2:1:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	N-2:O-2:H-1:	N(C[5a]C[5a]N[5a])(CHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NC)	C(NC[5a])(OC)(H)	N(C[5a]C[5a]N[5a])(CHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NC){2|C<3>}	C(NC[5a])(OC)(H)	119.1070	0.000	1	119.1070	0.000	1	118.3810	1.054	2	118.3810	1.054	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:2:1:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	N-2:O-2:H-1:	N(C[5a]C[5a]N[5a])(CHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	C(NC[5a])(OC)(H)	N(C[5a]C[5a]N[5a])(CHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	C(NC[5a])(OC)(H)	117.6550	0.000	1	117.6550	0.000	1	118.3810	1.054	2	118.3810	1.054	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:2:2:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	N-2:C-2:S-2:	N(C[5a]C[5a]N[5a])(CCS)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC)	C(NC[5a])(CN)(SS)	N(C[5a]C[5a]N[5a])(CCS)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC){1|C<4>}	C(NC[5a])(CN)(SS)	124.6310	0.000	1	124.6310	0.000	1	128.2240	25.819	2	128.2240	25.819	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:2:2:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	N-2:C-2:S-2:	N(C[5a]C[5a]N[5a])(CCS)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(NC)	C(NC[5a])(CN)(SS)	N(C[5a]C[5a]N[5a])(CCS)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(NC){1|C<4>}	C(NC[5a])(CN)(SS)	131.8170	0.000	1	131.8170	0.000	1	128.2240	25.819	2	128.2240	25.819	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:2:3:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	N-2:O-2:N-3:	N(C[5a]C[5a]N[5a])(CNO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	C(NC[5a])(OC[6a])(NCH)	N(C[5a]C[5a]N[5a])(CNO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	C(NC[5a])(OC[6a])(NCH)	121.0840	0.098	2	121.0840	0.010	2	121.0840	0.010	2	121.0840	0.010	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:3:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	N-2:C-3:H-1:	N(C[5a]C[5a]2)(CCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(NC[5a])(CCH)(H)	N(C[5a]C[5a]2)(CCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(NC[5a])(CCH)(H)	120.7830	0.000	1	120.7830	0.000	1	120.7830	0.000	1	118.7593	4.506	7	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:3:1:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	N-2:N-3:H-1:	N(C[5a]C[5a]N[5a])(CHN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]N[5a])(CHN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	C(NC[5a])(NCC)(H)	117.1790	0.000	1	117.1790	0.000	1	117.1790	0.000	1	118.7593	4.506	7	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:3:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	N-2:C-3:H-1:	N(C[5a]C[5a]N[5a])(CCH)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	C(NC[5a])(CCH)(H)	N(C[5a]C[5a]N[5a])(CCH)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<2>,2|C<3>}	C(NC[5a])(CCH)(H)	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	118.7593	4.506	7	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:3:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	N-2:N-3:H-1:	N(C[5a]C[5a]N[5a])(CHN)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)(NC)	C(NC[5a])(NCH)(H)	N(C[5a]C[5a]N[5a])(CHN)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)(NC){1|C<4>,1|O<2>,2|H<1>}	C(NC[5a])(NCH)(H)	120.4040	0.301	2	120.4040	0.091	2	118.3675	6.189	4	118.7593	4.506	7	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:3:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	N-2:N-3:H-1:	N(C[5a]C[5a]N[5a])(CHN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]N[5a])(CHN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC){1|C<4>,2|C<3>}	C(NC[5a])(NCC)(H)	117.3020	0.000	1	117.3020	0.000	1	118.3675	6.189	4	118.7593	4.506	7	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:3:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	N-2:N-3:H-1:	N(C[5a]C[5a]N[5a])(CHN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	C(NC[5a])(NCC)(H)	N(C[5a]C[5a]N[5a])(CHN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<4>,2|C<3>}	C(NC[5a])(NCC)(H)	115.3600	0.000	1	115.3600	0.000	1	118.3675	6.189	4	118.7593	4.506	7	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:3:4:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	N-2:N-3:C-4:	N(C[5a]C[5a]N[5a])(CCN)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC)	C(NC[5a])(NPtH)(CC3)	N(C[5a]C[5a]N[5a])(CCN)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC){1|N<2>,3|C<3>}	C(NC[5a])(NPtH)(CC3)	122.9915	0.854	4	122.9915	0.729	4	122.9915	0.729	4	122.9915	0.729	4	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:4:3:	C[5a]-3:C-3:	C[5a,6a]-3:N[5a]-3:N-2:	N-2:C-4:N-3:	N(C[5a]C[5a,6a]N[5a])(CCN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(NC)	C(NC[5a])(CCHH)(NPtH)	N(C[5a]C[5a,6a]N[5a])(CCN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(NC){1|H<1>,1|N<2>,2|C<3>}	C(NC[5a])(CCHH)(NPtH)	123.3858	0.604	10	123.3858	0.365	10	123.3858	0.365	10	123.3858	0.365	10	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:4:4:	C[5a]-3:C-3:	C[5a,6a]-3:N[5a]-3:N-2:	N-2:C-4:C-4:	N(C[5a]C[5a,6a]N[5a])(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NC)	C(NC[5a])(CC3)(CH3)	N(C[5a]C[5a,6a]N[5a])(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NC){1|H<1>,4|C<3>}	C(NC[5a])(CC3)(CH3)	123.3290	0.000	1	123.3290	0.000	1	123.3290	0.000	1	124.0000	0.900	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	2:4:4:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	N-2:C-4:C-4:	N(C[5a]C[5a]N[5a])(CCC)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC)	C(NC[5a])(CCHH)(CHHS)	N(C[5a]C[5a]N[5a])(CCC)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC){2|C<3>}	C(NC[5a])(CCHH)(CHHS)	124.6710	0.000	1	124.6710	0.000	1	124.6710	0.000	1	124.0000	0.900	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a,6a]C[5a])(CC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	C(C[6a]C[6a,6a]2)(NC[5a])(H)	N(C[5a]C[5a,6a]C[5a])(CC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(NC[5a])(H)	122.8610	0.000	1	122.8610	0.000	1	123.0400	0.133	3	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a,6a]C[5a])(CC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a,6a]C[5a])(CC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	123.1295	0.467	2	123.1295	0.218	2	123.0400	0.133	3	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]2)(CC[5a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[5a]C[5a,6a]C[5a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(C[5a]C[5a,6a]C[5a])(NC[5a])(H)	122.1260	0.000	1	122.1260	0.000	1	120.1364	0.993	11	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]2)(CC[5a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[5a]C[5a]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(NC[5a])(H)	120.4800	0.427	2	120.4800	0.182	2	120.1364	0.993	11	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]2)(CC[5a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[5a]C[5a]N[5a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(NC[5a])(H)	120.0610	0.823	2	120.0610	0.677	2	120.1364	0.993	11	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]2)(CC[5a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[5a]C[5a]O[5a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(C[5a]C[5a]O[5a])(NC[5a])(H)	120.4735	0.272	2	120.4735	0.074	2	120.1364	0.993	11	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]2)(CC[5a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(NC[5a])(H)	119.3363	0.816	4	119.3363	0.667	4	120.1364	0.993	11	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6]-3:N-2:H-1:	N(C[5a]C[5a]2)(CC[6]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[6]C[6]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(C[6]C[6]2)(NC[5a])(H)	125.6790	0.000	1	125.6790	0.000	1	125.6790	0.000	1	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]2)(CC[6a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[6a]C[6a,6a]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(C[6a]C[6a,6a]2)(NC[5a])(H)	119.2070	0.000	1	119.2070	0.000	1	120.8096	1.125	100	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]2)(CC[6a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	121.9890	0.856	2	121.9890	0.732	2	120.8096	1.125	100	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]2)(CC[6a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(NC[5a])(H)	120.7852	1.026	93	120.7852	1.052	93	120.8096	1.125	100	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]2)(CC[6a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[6a]C[6a]N[6a])(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(NC[5a])(H)	121.8280	1.212	3	121.8280	1.469	3	120.8096	1.125	100	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]2)(CC[6a]H)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]H)(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[6a]H)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]H)(NC){1|H<1>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.2680	0.000	1	119.2680	0.000	1	120.8096	1.125	100	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:O-1:	N(C[5a]C[5a]2)(CC[6a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[6a]C[6a]2)(NC[5a])(O)	N(C[5a]C[5a]2)(CC[6a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(NC[5a])(O)	121.9640	0.000	1	121.9640	0.000	1	121.9640	0.000	1	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC){1|C<2>,1|H<1>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.3270	1.250	3	119.3270	1.563	3	119.3270	1.563	3	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]N[5a,6a]C[5a])(CC[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]N[5a,6a]C[5a])(CC[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){1|H<1>,4|C<3>}	C(C[5a]C[5a]S[5a])(NC[5a])(H)	122.1810	2.176	2	122.1810	4.737	2	122.1810	4.737	2	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	N[5a,6a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]N[5a,6a]C[5a])(CC[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]N[5a,6a]C[5a])(CC[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	120.3380	0.000	1	120.3380	0.000	1	120.3380	0.000	1	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC)	C(C[5a]C[5a]O[5a])(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC){1|C<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(NC[5a])(H)	118.2250	0.000	1	118.2250	0.000	1	118.3243	0.367	3	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	C(C[5a]C[5a]O[5a])(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(NC[5a])(H)	117.7740	0.000	1	117.7740	0.000	1	118.3243	0.367	3	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	C(C[5a]C[5a]S[5a])(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<4>,2|C<3>}	C(C[5a]C[5a]S[5a])(NC[5a])(H)	118.9740	0.000	1	118.9740	0.000	1	118.3243	0.367	3	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.9080	1.263	3	119.9080	1.595	3	118.5553	2.475	17	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	119.7270	0.000	1	119.7270	0.000	1	118.5553	2.475	17	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(NC){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	120.7400	0.649	2	120.7400	0.421	2	118.5553	2.475	17	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<2>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(NC[5a])(H)	119.5430	0.000	1	119.5430	0.000	1	118.5553	2.475	17	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	117.3714	0.869	8	117.4966	0.822	10	118.5553	2.475	17	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	C(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(NC[5a])(H)	117.9975	1.217	2	117.4966	0.822	10	118.5553	2.475	17	120.5092	2.251	142	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:2:	C[5a]-3:C-3:	C[5a,6a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:N-2:	N(C[5a]C[5a,6a]N[5a])(CC[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(NC)	C(C[6a]C[6a]2)(NC[5a])(NPt)	N(C[5a]C[5a,6a]N[5a])(CC[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(NC){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(NC[5a])(NPt)	123.2530	0.602	2	123.2530	0.363	2	123.2530	0.363	2	123.2530	0.363	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:3:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]N)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC)	C(C[6a]C[6a]2)(NC[5a])(NPtH)	N(C[5a]C[5a]N[5a])(CC[6a]N)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Pt)(NC){1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(NC[5a])(NPtH)	123.4315	0.134	2	123.4315	0.018	2	123.4315	0.018	2	123.4315	0.018	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:2:4:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:C-4:	N(C[5a]C[5a]2)(CC[6a]C)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NC)	C(C[6a]C[6a]2)(NC[5a])(CCHH)	N(C[5a]C[5a]2)(CC[6a]C)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NC){1|C<3>}	C(C[6a]C[6a]2)(NC[5a])(CCHH)	123.7765	0.606	2	123.7765	0.367	2	123.7765	0.367	2	123.7765	0.367	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:3:2:	C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-2:	N[5a]-3:N-3:N-2:	N(C[5a]C[5a,6a]C[5a])(CN[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NC)	C(N[5a]C[5a]N[5a])(NC[6a]H)(NC[5a])	N(C[5a]C[5a,6a]C[5a])(CN[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NC){1|H<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(NC[6a]H)(NC[5a])	123.4820	0.000	1	123.4820	0.000	1	123.4820	0.000	1	126.2622	49.241	4	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:3:2:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:C[6a]-3:N-2:	N(C[5a]C[5a]N[5a])(CC[6a]2)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NC)	C(C[6a]C[6a]2)2(NC[5a])	N(C[5a]C[5a]N[5a])(CC[6a]2)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NC){2|C<3>}	C(C[6a]C[6a]2)2(NC[5a])	122.4045	0.260	2	122.4045	0.067	2	122.4045	0.067	2	126.2622	49.241	4	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:3:2:	C[5a]-3:C-3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N-2:	N(C[5a]C[5a]N[5a])(CC[5a]C[6a])	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(NC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]N[5a])(CC[5a]C[6a])	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(NC){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[5a])	136.7580	0.000	1	136.7580	0.000	1	136.7580	0.000	1	126.2622	49.241	4	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:4:2:	C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[6a]-3:C-4:N-2:	N(C[5a]C[5a,6a]C[5a])(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NC)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a])	N(C[5a]C[5a,6a]C[5a])(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NC){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a])	120.5760	0.000	1	120.5760	0.000	1	120.5760	0.000	1	121.2920	1.025	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	3:4:2:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	N[6]-3:C-4:N-2:	N(C[5a]C[5a]N[5a])(CN[6]C)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NC)	C(N[6]C[6]2)(CC[6a]HH)(NC[5a])	N(C[5a]C[5a]N[5a])(CN[6]C)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NC){1|H<1>}	C(N[6]C[6]2)(CC[6a]HH)(NC[5a])	122.0080	0.000	1	122.0080	0.000	1	122.0080	0.000	1	121.2920	1.025	2	120.5226	5.619	350	120.5226	5.619	350
941	727	930	0:SP2_SP2_SP2	N	C[5a]	C	3:3:	3:3:2:	4:2:1:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5]-4:N-2:H-1:	N(C[5a]C[5a]2)(CC[5]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	C(C[5]C[5]2Fe)(NC[5a])(H)	N(C[5a]C[5a]2)(CC[5]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	C(C[5]C[5]2Fe)(NC[5a])(H)	119.7050	0.000	1	119.7050	0.000	1	119.7050	0.000	1	119.7050	0.000	1	120.5226	5.619	350	120.5226	5.619	350
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	2:1:	C[5a]-3:N-2:	N[5a]-2:N[5a]-2:N-2:	N-2:N-1:	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N(NC[5a])(N)	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|C<3>,1|N<3>}	N(NC[5a])(N)	112.8450	0.000	1	113.0225	0.063	2	113.0225	0.063	2	112.3817	1.264	3	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	2:1:	C[5a]-3:N-2:	N[5a]-2:N[5a]-2:N-2:	N-2:N-1:	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N(NC[5a])(N)	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|H<1>,1|N<3>}	N(NC[5a])(N)	113.2000	0.000	1	113.0225	0.063	2	113.0225	0.063	2	112.3817	1.264	3	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	2:1:	C[5a]-3:N-2:	N[5a]-2:N[5a]-2:N-2:	N-2:O-1:	N(C[5a]N[5a]2)(NO)	C[5a](N[5a]N[5a])2(NN)	N(NC[5a])(O)	N(C[5a]N[5a]2)(NO)	C[5a](N[5a]N[5a])2(NN){1|C<4>}	N(NC[5a])(O)	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	112.3817	1.264	3	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N(C[5a]N[5a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|Mn<6>,1|H<1>}	N(C[5a]N[5a]2)(NC[5a])	111.6150	0.000	1	111.4400	0.061	2	111.3860	0.024	4	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N(C[5a]N[5a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|Mn<7>,1|H<1>}	N(C[5a]N[5a]2)(NC[5a])	111.2650	0.000	1	111.4400	0.061	2	111.3860	0.024	4	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(NN)	N(C[5a]N[5a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(NN){1|N<3>}	N(C[5a]N[5a]2)(NC[5a])	111.3320	0.007	2	111.3320	0.000	2	111.3860	0.024	4	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:N[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	114.2220	0.000	1	114.2220	0.000	1	114.2220	0.000	1	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:O[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]O[5a])(NC[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	N(C[5a]N[5a]O[5a])(NC[5a])	N(C[5a]N[5a]O[5a])(NC[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	N(C[5a]N[5a]O[5a])(NC[5a])	112.2020	0.000	1	112.2020	0.000	1	112.2020	0.000	1	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C-3:N-2:	N(C[5a]N[5a]S[5a])(NC)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	N(CC[5a]C)(NC[5a])	N(C[5a]N[5a]S[5a])(NC)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){1|C<4>,1|N<2>}	N(CC[5a]C)(NC[5a])	111.4300	0.964	2	111.4300	0.930	2	113.0550	8.387	3	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C-3:N-2:	N(C[5a]N[5a]S[5a])(NC)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NN)	N(CC[6a]C)(NC[5a])	N(C[5a]N[5a]S[5a])(NC)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NN){1|N<3>}	N(CC[6a]C)(NC[5a])	116.3050	0.000	1	116.3050	0.000	1	113.0550	8.387	3	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NN)	N(C[5a]C[5a,6a]C[5a])(NC[5a])	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NN){2|C<3>}	N(C[5a]C[5a,6a]C[5a])(NC[5a])	110.6565	0.168	2	110.6565	0.028	2	111.1167	1.329	13	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	N(C[5a]C[5a,6a]C[5a])(NC[5a])	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){1|C<4>,1|H<1>}	N(C[5a]C[5a,6a]C[5a])(NC[5a])	110.6010	0.572	3	111.0310	0.537	5	111.1167	1.329	13	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	N(C[5a]C[5a,6a]C[5a])(NC[5a])	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){2|H<1>}	N(C[5a]C[5a,6a]C[5a])(NC[5a])	111.6760	0.330	2	111.0310	0.537	5	111.1167	1.329	13	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]C[5a])(S[5a]N[5a])(NN)	N(C[5a]C[5a]2)(NC[5a])	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]C[5a])(S[5a]N[5a])(NN){1|C<4>}	N(C[5a]C[5a]2)(NC[5a])	113.3950	0.571	2	113.3950	0.326	2	111.1167	1.329	13	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(NN)	N(C[5a]C[5a,6a]C[5a])(NC[5a])	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(NN){1|C<4>}	N(C[5a]C[5a,6a]C[5a])(NC[5a])	110.2000	0.000	1	110.3148	0.009	4	111.1167	1.329	13	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(NN)	N(C[5a]C[5a,6a]C[5a])(NC[5a])	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(NN){1|H<1>}	N(C[5a]C[5a,6a]C[5a])(NC[5a])	110.3920	0.000	1	110.3148	0.009	4	111.1167	1.329	13	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(NN)	N(C[5a]C[5a,6a]C[5a])(NC[5a])	N(C[5a]N[5a]S[5a])(NC[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(NN){1|S<2>}	N(C[5a]C[5a,6a]C[5a])(NC[5a])	110.3335	0.076	2	110.3148	0.009	4	111.1167	1.329	13	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]N[5a]S[5a])(NC[6a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]N[5a]S[5a])(NC[6a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	111.9750	0.000	1	112.6923	0.893	4	112.6923	0.893	4	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]N[5a]S[5a])(NC[6a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]N[5a]S[5a])(NC[6a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){2|C<3>}	N(C[6a]C[6a]2)(NC[5a])	111.9110	0.000	1	112.6923	0.893	4	112.6923	0.893	4	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]N[5a]S[5a])(NC[6a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]N[5a]S[5a])(NC[6a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	113.4415	0.657	2	112.6923	0.893	4	112.6923	0.893	4	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	N-3:N-2:	N(C[5a]N[5a]S[5a])(NN)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NN)	N(NC[5a]H)(NC[5a])	N(C[5a]N[5a]S[5a])(NN)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NN){1|C<4>}	N(NC[5a]H)(NC[5a])	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	111.6496	2.657	27	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	2:2:2:	4:2:	C[5a]-3:N-2:	N[5a]-2:S[5a]-2:N-2:	C[6]-4:N-2:	N(C[5a]N[5a]S[5a])(NC[6])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	N(C[6]C[6]2H)(NC[5a])	N(C[5a]N[5a]S[5a])(NC[6])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){1|C<4>,1|H<1>}	N(C[6]C[6]2H)(NC[5a])	119.1760	0.000	1	119.1760	0.000	1	119.1760	0.000	1	119.1760	0.000	1	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	2:1:	C[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	N-2:N-1:	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NN)	N(NC[5a])(N)	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NN){1|C<4>,1|N<2>}	N(NC[5a])(N)	111.1160	0.000	1	111.1160	0.000	1	113.1653	2.315	6	112.9669	1.606	12	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	2:1:	C[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	N-2:N-1:	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN)	N(NC[5a])(N)	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN){1|N<2>,1|N<3>}	N(NC[5a])(N)	113.2668	1.243	4	113.2668	1.545	4	113.1653	2.315	6	112.9669	1.606	12	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	2:1:	C[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	N-2:N-1:	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]N[5a]2)(N[5a]O[5a])(NN)	N(NC[5a])(N)	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]N[5a]2)(N[5a]O[5a])(NN){2|N<2>}	N(NC[5a])(N)	114.8090	0.000	1	114.8090	0.000	1	113.1653	2.315	6	112.9669	1.606	12	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	2:1:	C[5a]-3:N-2:	N[5a,6a]-3:N[5a]-2:N-2:	N-2:O-1:	N(C[5a]N[5a,6a]N[5a])(NO)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN)	N(NC[5a])(O)	N(C[5a]N[5a,6a]N[5a])(NO)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN){1|C<3>,1|N<2>}	N(NC[5a])(O)	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	112.9669	1.606	12	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	2:1:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	N-2:N-1:	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N(NC[5a])(N)	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|C<2>}	N(NC[5a])(N)	112.7440	0.000	1	112.7440	0.000	1	113.0828	0.663	5	112.9669	1.606	12	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	2:1:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	N-2:N-1:	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(NN)	N(NC[5a])(N)	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(NN){1|C<3>,1|H<1>}	N(NC[5a])(N)	114.1830	0.000	1	114.1830	0.000	1	113.0828	0.663	5	112.9669	1.606	12	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	2:1:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	N-2:N-1:	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N(NC[5a])(N)	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	N(NC[5a])(N)	112.4170	0.338	2	112.8290	0.566	3	113.0828	0.663	5	112.9669	1.606	12	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	2:1:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	N-2:N-1:	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N(NC[5a])(N)	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<4>}	N(NC[5a])(N)	113.6530	0.000	1	112.8290	0.566	3	113.0828	0.663	5	112.9669	1.606	12	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	2:2:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	N-2:O-2:	N(C[5a]N[5a]2)(NO)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N(NC[5a])(OH)	N(C[5a]N[5a]2)(NO)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N(NC[5a])(OH)	112.6850	0.000	1	112.6850	0.000	1	112.6850	0.000	1	112.6850	0.000	1	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5,5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]C[5,5a]N[5a])(NC[5a])	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(NN)	N(C[5a]C[5,5a]N[5a])(NC[5a])	N(C[5a]C[5,5a]N[5a])(NC[5a])	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(NN){1|N<4>,2|C<4>,2|H<1>}	N(C[5a]C[5,5a]N[5a])(NC[5a])	112.5160	0.000	1	112.5160	0.000	1	112.5160	0.000	1	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a,6a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN){1|F<1>,3|C<3>}	N(C[6a]C[6a]2)(NC[5a])	113.8050	0.651	3	113.3992	0.941	4	113.3992	0.941	4	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a,6a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a,6a]N[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a,6a]N[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN){2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	112.1820	0.000	1	113.3992	0.941	4	113.3992	0.941	4	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN){1|N<2>,1|N<3>}	N(C[5a]C[5a]N[5a])(NC[5a])	112.4237	0.705	4	112.0742	0.984	5	111.7275	0.421	29	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN){2|N<2>}	N(C[5a]C[5a]N[5a])(NC[5a])	110.6760	0.000	1	112.0742	0.984	5	111.7275	0.421	29	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])	111.2710	0.112	2	111.2710	0.012	2	111.7275	0.421	29	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]N[5a]C[3])(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]N[5a]C[3])(N[5a]O[5a])(NN){1|H<1>,2|C<4>}	N(C[5a]C[5a]N[5a])(NC[5a])	112.8040	0.000	1	112.8040	0.000	1	111.7275	0.421	29	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN){2|N<2>}	N(C[5a]C[5a]N[5a])(NC[5a])	112.0350	0.000	1	112.0350	0.000	1	111.7275	0.421	29	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])	111.6016	0.539	19	111.6016	0.291	19	111.7275	0.421	29	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]N[5a]O)(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](C[5a]N[5a]O)(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])	111.9160	0.000	1	111.9160	0.000	1	111.7275	0.421	29	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	114.1000	0.000	1	114.1000	0.000	1	114.1000	0.000	1	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]S[5a])(NC[6a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]S[5a])(NC[6a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NN){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(NC[5a])	112.9650	0.000	1	112.9650	0.000	1	113.8047	0.825	4	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]S[5a])(NC[6a])	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]S[5a])(NC[6a])	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NN){1|N<3>}	N(C[6a]C[6a]2)(NC[5a])	113.0730	0.000	1	113.0730	0.000	1	113.8047	0.825	4	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]S[5a])(NC[6a])	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]S[5a])(NC[6a])	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(NN){1|N<3>}	N(C[6a]C[6a]2)(NC[5a])	114.5905	0.030	2	114.5905	0.001	2	113.8047	0.825	4	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN)	N(C[5a]N[5a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN){1|H<1>}	N(C[5a]N[5a]2)(NC[5a])	113.9200	0.000	1	113.9200	0.000	1	112.6098	0.686	8	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NN)	N(C[5a]N[5a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NN){1|N<3>,2|N<2>}	N(C[5a]N[5a]2)(NC[5a])	111.4470	0.000	1	111.4470	0.000	1	112.6098	0.686	8	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N(C[5a]N[5a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N(C[5a]N[5a]2)(NC[5a])	112.3670	0.154	2	112.3670	0.024	2	112.6098	0.686	8	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	N(C[5a]N[5a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	N(C[5a]N[5a]2)(NC[5a])	112.0695	0.004	2	112.0695	0.000	2	112.6098	0.686	8	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N(C[5a]N[5a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N(C[5a]N[5a]2)(NC[5a])	113.3190	0.033	2	113.3190	0.001	2	112.6098	0.686	8	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	C[6]-3:N-2:	N(C[5a]N[5a]2)(NC[6])	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN)	N(C[6]C[6]2)(NC[5a])	N(C[5a]N[5a]2)(NC[6])	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN){1|H<1>}	N(C[6]C[6]2)(NC[5a])	111.5860	0.598	4	111.5860	0.358	4	111.5860	0.358	4	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN){2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	114.0050	0.395	2	114.0050	0.156	2	111.2960	20.145	10	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N(C[6a]C[6a,6a]C[6a])(NC[5a])	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[5a])	111.9770	0.000	1	111.9770	0.000	1	111.2960	20.145	10	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|C<3>}	N(C[6a]C[6a]2)(NC[5a])	113.0040	0.000	1	108.2410	66.810	3	111.2960	20.145	10	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	105.8594	9.979	2	108.2410	66.810	3	111.2960	20.145	10	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	112.0625	0.825	4	112.0625	0.680	4	111.2960	20.145	10	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:S[5a]-2:N-2:	C-3:N-2:	N(C[5a]N[5a]S[5a])(NC)	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(NN)	N(CC[6]C)(NC[5a])	N(C[5a]N[5a]S[5a])(NC)	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(NN){1|C<3>,1|O<1>}	N(CC[6]C)(NC[5a])	108.8120	0.000	1	108.8120	0.000	1	109.5340	1.367	4	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:S[5a]-2:N-2:	C-3:N-2:	N(C[5a]N[5a]S[5a])(NC)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN)	N(CC[6a]C)(NC[5a])	N(C[5a]N[5a]S[5a])(NC)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN){1|O<1>,3|C<3>}	N(CC[6a]C)(NC[5a])	109.7747	1.305	3	109.7747	1.703	3	109.5340	1.367	4	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:S[5a]-2:N-2:	C[5,6]-3:N-2:	N(C[5a]N[5a]S[5a])(NC[5,6])	C[5a](N[5a]C[5a]H)(S[5a]C[5a])(NN)	N(C[5,6]C[5,5,6]C[5,6])(NC[5a])	N(C[5a]N[5a]S[5a])(NC[5,6])	C[5a](N[5a]C[5a]H)(S[5a]C[5a])(NN){1|C<3>,1|O<1>}	N(C[5,6]C[5,5,6]C[5,6])(NC[5a])	110.2045	0.340	2	110.2045	0.116	2	110.2045	0.116	2	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:S[5a]-2:N-2:	C[6]-3:N-2:	N(C[5a]N[5a]S[5a])(NC[6])	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN)	N(C[6]C[6,6a]C[6])(NC[5a])	N(C[5a]N[5a]S[5a])(NC[6])	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN){1|O<1>,3|C<3>}	N(C[6]C[6,6a]C[6])(NC[5a])	108.5410	0.000	1	108.5410	0.000	1	108.5410	0.000	1	111.8059	4.253	68	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	2:1:	C[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N-2:N-1:	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN)	N(NC[5a])(N)	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN){1|N<2>}	N(NC[5a])(N)	119.7030	0.000	1	120.2635	0.628	2	118.6898	4.813	5	118.6898	4.813	5	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	2:1:	C[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N-2:N-1:	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN)	N(NC[5a])(N)	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN){1|N<3>}	N(NC[5a])(N)	120.8240	0.000	1	120.2635	0.628	2	118.6898	4.813	5	118.6898	4.813	5	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	2:1:	C[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	N-2:N-1:	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NN)	N(NC[5a])(N)	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NN){1|N<3>}	N(NC[5a])(N)	117.6407	2.277	3	117.6407	5.185	3	118.6898	4.813	5	118.6898	4.813	5	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	2:4:	C[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	N-2:Si-4:	N(C[5a]C[5a]2)(NSi)	C[5a](C[5a]N[5a]Si)(C[5a]N[5a]N)(NN)	N(NC[5a])(SiC3)	N(C[5a]C[5a]2)(NSi)	C[5a](C[5a]N[5a]Si)(C[5a]N[5a]N)(NN){1|Si<4>}	N(NC[5a])(SiC3)	113.9540	0.140	2	113.9540	0.020	2	113.9540	0.020	2	113.9540	0.020	2	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN)	N(C[5a]N[5a]S[5a])(NC[5a])	N(C[5a]C[5a,6a]C[5a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN){1|C<4>,1|H<1>,4|C<3>}	N(C[5a]N[5a]S[5a])(NC[5a])	115.7384	0.375	5	115.5223	0.393	6	115.3376	0.266	11	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN)	N(C[5a]N[5a]S[5a])(NC[5a])	N(C[5a]C[5a,6a]C[5a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN){2|H<1>,4|C<3>}	N(C[5a]N[5a]S[5a])(NC[5a])	114.4420	0.000	1	115.5223	0.393	6	115.3376	0.266	11	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NN)	N(C[5a]N[5a]S[5a])(NC[5a])	N(C[5a]C[5a,6a]C[5a])(NC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NN){1|C<4>,1|H<1>,2|C<3>}	N(C[5a]N[5a]S[5a])(NC[5a])	115.1160	0.249	5	115.1160	0.062	5	115.3376	0.266	11	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a,6a]C[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NC[5a])	113.4650	0.000	1	113.4650	0.000	1	115.1205	6.544	8	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a,6a]C[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NN){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[5a])	113.8480	0.000	1	113.8480	0.000	1	115.1205	6.544	8	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a,6a]C[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NN){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[5a])	114.3100	0.000	1	114.4554	0.033	5	115.1205	6.544	8	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a,6a]C[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NN){2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	114.4917	0.187	4	114.4554	0.033	5	115.1205	6.544	8	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a,6a]C[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN)	N(C[6a]C[6a,6a]C[6a])(NC[5a])	N(C[5a]C[5a,6a]C[5a])(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[5a])	121.3740	0.000	1	121.3740	0.000	1	115.1205	6.544	8	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a]2)(NC[5a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NN)	N(C[5a]N[5a]S[5a])(NC[5a])	N(C[5a]C[5a]2)(NC[5a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NN){1|C<3>}	N(C[5a]N[5a]S[5a])(NC[5a])	111.5570	0.979	2	111.5570	0.958	2	111.5570	0.958	2	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]2)(NC[6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]2)(NC[6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NN){2|C<4>}	N(C[6a]C[6a]2)(NC[5a])	114.3270	0.000	1	114.3270	0.000	1	116.2866	14.200	13	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]2)(NC[6a])	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]2)(NC[6a])	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(NN)	N(C[6a]C[6a]2)(NC[5a])	113.6205	0.562	2	113.6205	0.316	2	116.2866	14.200	13	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]2)(NC[6a])	C[5a](C[5a]N[5a]C)2(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]2)(NC[6a])	C[5a](C[5a]N[5a]C)2(NN){1|C<3>}	N(C[6a]C[6a]2)(NC[5a])	115.0800	0.435	6	116.2528	11.790	9	116.2866	14.200	13	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]2)(NC[6a])	C[5a](C[5a]N[5a]C)2(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]2)(NC[6a])	C[5a](C[5a]N[5a]C)2(NN){1|C<4>}	N(C[6a]C[6a]2)(NC[5a])	118.5983	5.857	3	116.2528	11.790	9	116.2866	14.200	13	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]2)(NC[6a])	C[5a](C[5a]N[5a]H)2(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]2)(NC[6a])	C[5a](C[5a]N[5a]H)2(NN){1|C<4>}	N(C[6a]C[6a]2)(NC[5a])	123.8830	0.000	1	123.8830	0.000	1	116.2866	14.200	13	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NN)	N(C[6a]C[6a,6a]C[6a])(NC[5a])	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NN){4|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[5a])	114.0210	0.000	1	114.0210	0.000	1	114.0434	1.005	30	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	115.6000	0.000	1	115.6000	0.000	1	114.0434	1.005	30	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN){1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	114.3081	0.780	20	114.0702	0.959	26	114.0434	1.005	30	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN){1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(NC[5a])	113.5593	0.581	3	114.0702	0.959	26	114.0434	1.005	30	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN){2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	112.9947	1.783	3	114.0702	0.959	26	114.0434	1.005	30	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(NN){1|C<4>}	N(C[6a]C[6a]2)(NC[5a])	113.2630	0.000	1	113.2630	0.000	1	114.0434	1.005	30	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(NN){1|H<1>}	N(C[6a]C[6a]2)(NC[5a])	112.5920	0.000	1	112.5920	0.000	1	114.0434	1.005	30	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	N[5a,5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]N[5a,5a]C[5a])(NC[6a])	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]N[5a,5a]C[5a])(NC[6a])	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(NN){1|H<1>,1|N<2>,1|N<3>,2|F<1>}	N(C[6a]C[6a]2)(NC[5a])	112.5060	0.000	1	112.5060	0.000	1	113.7154	0.716	5	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	N[5a,5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]N[5a,5a]C[5a])(NC[6a])	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]N[5a,5a]C[5a])(NC[6a])	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NN){1|C<3>,1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(NC[5a])	114.2560	0.422	3	114.2560	0.178	3	113.7154	0.716	5	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	N[5a,5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:	N(C[5a]N[5a,5a]C[5a])(NC[6a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(NN)	N(C[6a]C[6a]2)(NC[5a])	N(C[5a]N[5a,5a]C[5a])(NC[6a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(NN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[5a])	113.3030	0.000	1	113.3030	0.000	1	113.7154	0.716	5	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NN)	N(C[5a]C[5a]N[5a])(NC[5a])	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NN){1|C<4>,2|C<3>}	N(C[5a]C[5a]N[5a])(NC[5a])	111.9460	0.000	1	111.9460	0.000	1	112.9260	1.921	2	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	941	0:SP2_SP2_SP2	N	C[5a]	N	3:2:	3:3:2:	3:2:	C[5a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:N-2:	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NN)	N(C[5a]C[5a]N[5a])(NC[5a])	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NN){1|C<4>,2|C<3>}	N(C[5a]C[5a]N[5a])(NC[5a])	113.9060	0.000	1	113.9060	0.000	1	112.9260	1.921	2	114.6514	4.800	71	113.1766	6.701	190	113.1766	6.701	190
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	2:2:2:	2:	C[5a]-3:H-1:	N[5a]-2:O[5a]-2:N-2:	N-2:	N(C[5a]N[5a]O[5a])(H)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NH)	H(NC[5a])	N(C[5a]N[5a]O[5a])(H)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NH){1|O<1>,1|S<4>}	H(NC[5a])	119.3110	0.000	1	119.3110	0.000	1	119.3110	0.000	1	118.5883	3.220	7	115.2627	24.622	21	115.2627	24.622	21
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	2:2:2:	2:	C[5a]-3:H-1:	N[5a]-2:S[5a]-2:N-2:	N-2:	N(C[5a]N[5a]S[5a])(H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NH)	H(NC[5a])	N(C[5a]N[5a]S[5a])(H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NH){2|C<3>}	H(NC[5a])	118.8760	0.000	1	118.8760	0.000	1	118.4678	3.742	6	118.5883	3.220	7	115.2627	24.622	21	115.2627	24.622	21
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	2:2:2:	2:	C[5a]-3:H-1:	N[5a]-2:S[5a]-2:N-2:	N-2:	N(C[5a]N[5a]S[5a])(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NH)	H(NC[5a])	N(C[5a]N[5a]S[5a])(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NH){1|Br<1>,1|C<3>}	H(NC[5a])	119.0270	0.000	1	120.0825	2.228	2	118.4678	3.742	6	118.5883	3.220	7	115.2627	24.622	21	115.2627	24.622	21
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	2:2:2:	2:	C[5a]-3:H-1:	N[5a]-2:S[5a]-2:N-2:	N-2:	N(C[5a]N[5a]S[5a])(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NH)	H(NC[5a])	N(C[5a]N[5a]S[5a])(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NH){1|C<4>,1|H<1>}	H(NC[5a])	121.1380	0.000	1	120.0825	2.228	2	118.4678	3.742	6	118.5883	3.220	7	115.2627	24.622	21	115.2627	24.622	21
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	2:2:2:	2:	C[5a]-3:H-1:	N[5a]-2:S[5a]-2:N-2:	N-2:	N(C[5a]N[5a]S[5a])(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NH)	H(NC[5a])	N(C[5a]N[5a]S[5a])(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NH){1|C<4>}	H(NC[5a])	118.2685	0.730	2	117.2553	3.346	3	118.4678	3.742	6	118.5883	3.220	7	115.2627	24.622	21	115.2627	24.622	21
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	2:2:2:	2:	C[5a]-3:H-1:	N[5a]-2:S[5a]-2:N-2:	N-2:	N(C[5a]N[5a]S[5a])(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NH)	H(NC[5a])	N(C[5a]N[5a]S[5a])(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NH){1|H<1>,1|O<1>}	H(NC[5a])	115.2290	0.000	1	117.2553	3.346	3	118.4678	3.742	6	118.5883	3.220	7	115.2627	24.622	21	115.2627	24.622	21
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	3:2:2:	2:	C[5a]-3:H-1:	C[5a]-3:S[5a]-2:N-2:	N-2:	N(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NH)	H(NC[5a])	N(C[5a]C[5a]S[5a])(H)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NH){2|C<4>}	H(NC[5a])	118.7810	0.000	1	118.7810	0.000	1	118.7810	0.000	1	117.7910	6.127	4	115.2627	24.622	21	115.2627	24.622	21
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	3:2:2:	2:	C[5a]-3:H-1:	N[5a]-3:N[5a]-2:N-2:	N-2:	N(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NH)	H(NC[5a])	N(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NH){1|C<3>,1|N<3>}	H(NC[5a])	120.7970	0.000	1	120.7970	0.000	1	117.4610	8.538	3	117.7910	6.127	4	115.2627	24.622	21	115.2627	24.622	21
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	3:2:2:	2:	C[5a]-3:H-1:	N[5a]-3:N[5a]-2:N-2:	N-2:	N(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NH)	H(NC[5a])	N(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NH){1|C<3>,1|H<1>}	H(NC[5a])	115.3560	0.000	1	115.3560	0.000	1	117.4610	8.538	3	117.7910	6.127	4	115.2627	24.622	21	115.2627	24.622	21
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	3:2:2:	2:	C[5a]-3:H-1:	N[5a]-3:N[5a]-2:N-2:	N-2:	N(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NH)	H(NC[5a])	N(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NH){1|C<3>}	H(NC[5a])	116.2300	0.000	1	116.2300	0.000	1	117.4610	8.538	3	117.7910	6.127	4	115.2627	24.622	21	115.2627	24.622	21
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	3:3:2:	2:	C[5a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	N-2:	N(C[5a]C[5a,6a]N[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NH)	H(NC[5a])	N(C[5a]C[5a,6a]N[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NH){1|H<1>,1|N<2>,2|C<3>}	H(NC[5a])	119.9650	0.000	1	119.9650	0.000	1	110.6633	12.169	9	111.9234	26.694	10	115.2627	24.622	21	115.2627	24.622	21
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	3:3:2:	2:	C[5a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N-2:	N-2:	N(C[5a]C[5a,6a]N[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NH)	H(NC[5a])	N(C[5a]C[5a,6a]N[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Re)(NH){1|H<1>,1|N<2>,2|C<3>}	H(NC[5a])	109.5006	0.044	8	109.5006	0.002	8	110.6633	12.169	9	111.9234	26.694	10	115.2627	24.622	21	115.2627	24.622	21
941	727	951	0:SP2_SP-NON_SP2	N	C[5a]	H	3:1:	3:3:2:	2:	C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-2:	N-2:	N(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(NH)	H(NC[5a])	N(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]S)(C[5a]S[5a]C)(NH){1|N<3>}	H(NC[5a])	123.2640	0.000	1	123.2640	0.000	1	123.2640	0.000	1	111.9234	26.694	10	115.2627	24.622	21	115.2627	24.622	21
941	727	952	0:SP2_SP2_SP3	N	C[5a]	S	3:4:	2:2:2:	3:2:1:1:	C[5a]-3:S-4:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5a]N[5a]S[5a])(SC[6a]OO)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NS)	S(C[6a]C[6a]2)(NC[5a])(O)2	N(C[5a]N[5a]S[5a])(SC[6a]OO)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NS){2|H<1>}	S(C[6a]C[6a]2)(NC[5a])(O)2	121.5568	1.215	5	121.5568	1.476	5	121.1380	1.321	8	121.1380	1.321	8	122.3750	8.668	25	122.3750	8.668	25
941	727	952	0:SP2_SP2_SP3	N	C[5a]	S	3:4:	2:2:2:	3:2:1:1:	C[5a]-3:S-4:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5a]N[5a]S[5a])(SC[6a]OO)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NS)	S(C[6a]C[6a]2)(NC[5a])(O)2	N(C[5a]N[5a]S[5a])(SC[6a]OO)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NS){1|C<4>}	S(C[6a]C[6a]2)(NC[5a])(O)2	120.4400	0.708	3	120.4400	0.501	3	121.1380	1.321	8	121.1380	1.321	8	122.3750	8.668	25	122.3750	8.668	25
941	727	952	0:SP2_SP2_SP3	N	C[5a]	S	3:4:	3:2:2:	3:2:1:1:	C[5a]-3:S-4:	C[5a,6a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5a]C[5a,6a]N[5a])(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NS)	S(C[6a]C[6a]2)(NC[5a])(O)2	N(C[5a]C[5a,6a]N[5a])(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NS){1|C<4>,1|O<2>,2|C<3>}	S(C[6a]C[6a]2)(NC[5a])(O)2	124.0190	0.000	1	124.0190	0.000	1	124.0190	0.000	1	121.7869	3.738	7	122.3750	8.668	25	122.3750	8.668	25
941	727	952	0:SP2_SP2_SP3	N	C[5a]	S	3:4:	3:2:2:	3:2:1:1:	C[5a]-3:S-4:	C[5a]-3:N[5a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NS)	S(C[6a]C[6a]2)(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NS){1|C<4>}	S(C[6a]C[6a]2)(NC[5a])(O)2	120.8883	0.979	3	120.8883	0.959	3	120.8883	0.959	3	121.7869	3.738	7	122.3750	8.668	25	122.3750	8.668	25
941	727	952	0:SP2_SP2_SP3	N	C[5a]	S	3:4:	3:2:2:	3:2:1:1:	C[5a]-3:S-4:	C[5a]-3:O[5a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5a]C[5a]O[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NS)	S(C[6a]C[6a]2)(NC[5a])(O)2	N(C[5a]C[5a]O[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NS){1|C<4>}	S(C[6a]C[6a]2)(NC[5a])(O)2	120.6735	1.841	2	120.6735	3.388	2	121.9413	6.516	3	121.7869	3.738	7	122.3750	8.668	25	122.3750	8.668	25
941	727	952	0:SP2_SP2_SP3	N	C[5a]	S	3:4:	3:2:2:	3:2:1:1:	C[5a]-3:S-4:	C[5a]-3:O[5a]-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5a]C[5a]O[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(NS)	S(C[6a]C[6a]2)(NC[5a])(O)2	N(C[5a]C[5a]O[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(NS){1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(NC[5a])(O)2	124.4770	0.000	1	124.4770	0.000	1	121.9413	6.516	3	121.7869	3.738	7	122.3750	8.668	25	122.3750	8.668	25
941	727	952	0:SP2_SP2_SP3	N	C[5a]	S	3:4:	3:3:2:	3:2:1:1:	C[5a]-3:S-4:	C[5a,6a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(NS)	S(C[6a]C[6a]2)(NC[5a])(O)2	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(NS){5|C<3>}	S(C[6a]C[6a]2)(NC[5a])(O)2	122.4250	0.000	1	122.4250	0.000	1	122.4250	0.000	1	123.7763	15.784	10	122.3750	8.668	25	122.3750	8.668	25
941	727	952	0:SP2_SP2_SP3	N	C[5a]	S	3:4:	3:3:2:	3:2:1:1:	C[5a]-3:S-4:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5a]C[5a]2)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NS)	S(C[6a]C[6a]2)(NC[5a])(O)2	N(C[5a]C[5a]2)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NS){1|C<3>}	S(C[6a]C[6a]2)(NC[5a])(O)2	126.7240	0.000	1	126.7240	0.000	1	122.1730	41.423	2	123.7763	15.784	10	122.3750	8.668	25	122.3750	8.668	25
941	727	952	0:SP2_SP2_SP3	N	C[5a]	S	3:4:	3:3:2:	3:2:1:1:	C[5a]-3:S-4:	C[5a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5a]C[5a]2)(SC[6a]OO)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NS)	S(C[6a]C[6a]2)(NC[5a])(O)2	N(C[5a]C[5a]2)(SC[6a]OO)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NS){1|C<4>,2|C<3>}	S(C[6a]C[6a]2)(NC[5a])(O)2	117.6220	0.000	1	117.6220	0.000	1	122.1730	41.423	2	123.7763	15.784	10	122.3750	8.668	25	122.3750	8.668	25
941	727	952	0:SP2_SP2_SP3	N	C[5a]	S	3:4:	3:3:2:	3:2:1:1:	C[5a]-3:S-4:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5a])(O)2	130.8150	0.000	1	130.8150	0.000	1	124.4274	15.116	7	123.7763	15.784	10	122.3750	8.668	25	122.3750	8.668	25
941	727	952	0:SP2_SP2_SP3	N	C[5a]	S	3:4:	3:3:2:	3:2:1:1:	C[5a]-3:S-4:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NS)	S(C[6a]C[6a]2)(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5a])(O)2	121.4670	0.000	1	121.4670	0.000	1	124.4274	15.116	7	123.7763	15.784	10	122.3750	8.668	25	122.3750	8.668	25
941	727	952	0:SP2_SP2_SP3	N	C[5a]	S	3:4:	3:3:2:	3:2:1:1:	C[5a]-3:S-4:	C[5a]-3:N[5a]-3:N-2:	C[6a]-3:N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS)	S(C[6a]C[6a]2)(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS){2|C<3>}	S(C[6a]C[6a]2)(NC[5a])(O)2	123.7420	3.114	5	123.7420	9.696	5	124.4274	15.116	7	123.7763	15.784	10	122.3750	8.668	25	122.3750	8.668	25
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	2:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-2:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NN){1|C<3>,1|N<2>}	N(NC[5a])(O)2	118.0280	0.000	1	118.0280	0.000	1	117.6640	0.250	6	117.1508	0.542	11	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	2:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-2:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a])2(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a])2(NN){1|C<4>}	N(NC[5a])(O)2	117.5912	0.522	5	117.5912	0.272	5	117.6640	0.250	6	117.1508	0.542	11	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	2:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-2:O[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]O[5a])(NOO)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]O[5a])(NOO)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	N(NC[5a])(O)2	116.5473	0.378	3	116.6527	0.139	4	116.5350	0.174	5	117.1508	0.542	11	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	2:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-2:O[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]O[5a])(NOO)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]O[5a])(NOO)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<4>}	N(NC[5a])(O)2	116.9690	0.000	1	116.6527	0.139	4	116.5350	0.174	5	117.1508	0.542	11	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	2:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-2:O[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]O[5a])(NOO)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]O[5a])(NOO)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NN){1|C<3>}	N(NC[5a])(O)2	116.0640	0.000	1	116.0640	0.000	1	116.5350	0.174	5	117.1508	0.542	11	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	2:2:2:	3:2:1:	C[5a]-3:N-3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N-2:O-1:	N(C[5a]N[5a]2)(NC[5a]O)	C[5a](N[5a]N[5a])2(NN)	N(C[5a]N[5a]2)(NC[5a])(O)	N(C[5a]N[5a]2)(NC[5a]O)	C[5a](N[5a]N[5a])2(NN){1|C<4>}	N(C[5a]N[5a]2)(NC[5a])(O)	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN)	N(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN){1|N<2>,1|N<3>}	N(NC[5a])(O)2	116.4893	0.179	3	116.1495	0.191	11	116.2957	0.638	29	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN)	N(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN){1|N<2>,1|O<2>}	N(NC[5a])(O)2	116.5690	0.000	1	116.1495	0.191	11	116.2957	0.638	29	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN)	N(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN){2|N<2>}	N(NC[5a])(O)2	115.9439	0.414	7	116.1495	0.191	11	116.2957	0.638	29	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NN)	N(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NN)	N(NC[5a])(O)2	116.9843	0.660	3	116.9843	0.436	3	116.2957	0.638	29	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN)	N(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN){1|N<2>,1|N<3>}	N(NC[5a])(O)2	116.1440	0.000	1	116.6676	0.845	5	116.2957	0.638	29	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN)	N(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN){1|N<2>,1|O<2>}	N(NC[5a])(O)2	115.6450	0.000	1	116.6676	0.845	5	116.2957	0.638	29	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN)	N(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]C[5])(N[5a]O[5a])(NN){2|N<2>}	N(NC[5a])(O)2	117.1830	0.795	3	116.6676	0.845	5	116.2957	0.638	29	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NN)	N(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NN){1|N<2>,1|O<2>}	N(NC[5a])(O)2	115.8155	0.948	8	115.8155	0.899	8	116.2957	0.638	29	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NN)	N(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NN)	N(NC[5a])(O)2	117.0585	0.214	2	117.0585	0.046	2	116.2957	0.638	29	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a,6a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a,6a]N[5a])(NOO)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a,6a]N[5a])(NOO)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN){1|C<3>,1|N<2>}	N(NC[5a])(O)2	116.8708	0.464	6	116.8708	0.215	6	116.8708	0.215	6	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN){1|C<3>}	N(NC[5a])(O)2	115.8050	0.000	1	115.8050	0.000	1	116.4179	0.667	68	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(NN){2|N<2>}	N(NC[5a])(O)2	116.0353	0.213	3	116.0353	0.046	3	116.4179	0.667	68	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<2>}	N(NC[5a])(O)2	117.0040	0.000	1	117.0381	0.130	7	116.4179	0.667	68	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<3>}	N(NC[5a])(O)2	117.0438	0.395	6	117.0381	0.130	7	116.4179	0.667	68	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N(NC[5a])(O)2	116.2368	0.515	16	116.2368	0.265	16	116.4179	0.667	68	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C[5])(N[5a]N[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C[5])(N[5a]N[5a])(NN){2|N<2>}	N(NC[5a])(O)2	116.0250	0.113	2	116.0250	0.013	2	116.4179	0.667	68	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	N(NC[5a])(O)2	116.8607	0.522	4	116.5073	1.858	16	116.4179	0.667	68	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<4>}	N(NC[5a])(O)2	116.3583	1.620	11	116.5073	1.858	16	116.4179	0.667	68	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|H<1>}	N(NC[5a])(O)2	116.7330	0.000	1	116.5073	1.858	16	116.4179	0.667	68	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N(NC[5a])(O)2	116.4955	0.759	11	116.4955	0.576	11	116.4179	0.667	68	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	2:1:1:	C[5a]-3:N-3:	N[5a]-3:N[5a]-2:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N(NC[5a])(O)2	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N(NC[5a])(O)2	116.3191	0.372	12	116.3191	0.138	12	116.4179	0.667	68	116.4099	0.640	103	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	3:2:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:O-1:	N(C[5a]C[5a]N[5a])(NC[5a]O)	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])(O)	N(C[5a]C[5a]N[5a])(NC[5a]O)	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NN){2|N<2>}	N(C[5a]C[5a]N[5a])(NC[5a])(O)	116.3860	0.000	1	116.3860	0.000	1	116.8946	0.387	5	117.1264	2.197	9	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	3:2:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:O-1:	N(C[5a]C[5a]N[5a])(NC[5a]O)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])(O)	N(C[5a]C[5a]N[5a])(NC[5a]O)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])(O)	116.9220	0.000	1	116.9220	0.000	1	116.8946	0.387	5	117.1264	2.197	9	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	3:2:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:O-1:	N(C[5a]C[5a]N[5a])(NC[5a]O)	C[5a](C[5a]N[5a]Cl)(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])(O)	N(C[5a]C[5a]N[5a])(NC[5a]O)	C[5a](C[5a]N[5a]Cl)(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])(O)	117.0260	0.000	1	117.0260	0.000	1	116.8946	0.387	5	117.1264	2.197	9	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	3:2:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:O-1:	N(C[5a]C[5a]N[5a])(NC[5a]O)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])(O)	N(C[5a]C[5a]N[5a])(NC[5a]O)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])(O)	116.2910	0.000	1	116.2910	0.000	1	116.8946	0.387	5	117.1264	2.197	9	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	3:2:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:O-1:	N(C[5a]C[5a]N[5a])(NC[5a]O)	C[5a](C[5a]N[5a]N[6])(N[5a]O[5a])(NN)	N(C[5a]C[5a]N[5a])(NC[5a])(O)	N(C[5a]C[5a]N[5a])(NC[5a]O)	C[5a](C[5a]N[5a]N[6])(N[5a]O[5a])(NN){2|C<4>}	N(C[5a]C[5a]N[5a])(NC[5a])(O)	117.8480	0.000	1	117.8480	0.000	1	116.8946	0.387	5	117.1264	2.197	9	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	3:2:1:	C[5a]-3:N-3:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a]S[5a])(NC[6a]H)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NN)	N(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a]S[5a])(NC[6a]H)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NN){1|N<2>}	N(C[6a]C[6a]2)(NC[5a])(H)	119.3275	0.812	2	119.3275	0.660	2	119.3275	0.660	2	117.1264	2.197	9	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:2:2:	3:2:1:	C[5a]-3:N-3:	N[5a]-3:N[5a]-2:N-2:	C[5]-3:N-2:O-1:	N(C[5a]N[5a]2)(NC[5]O)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N(C[5]N[5]2)(NC[5a])(O)	N(C[5a]N[5a]2)(NC[5]O)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N(C[5]N[5]2)(NC[5a])(O)	115.5050	0.390	2	115.5050	0.152	2	115.5050	0.152	2	117.1264	2.197	9	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:3:2:	2:1:1:	C[5a]-3:N-3:	C[5a]-3:N[5a]-3:N-2:	N-2:O-1:O-1:	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]N)(N[5a]N[5a]H)(NN)	N(NC[5a])(O)2	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]N)(N[5a]N[5a]H)(NN)	N(NC[5a])(O)2	116.4210	0.000	1	116.4210	0.000	1	116.4210	0.000	1	115.2740	1.156	4	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:3:2:	2:1:1:	C[5a]-3:N-3:	N[5,5a]-3:N[5a]-3:N-2:	N-2:O-1:O-1:	N(C[5a]N[5,5a]N[5a])(NOO)	C[5a](N[5,5a]C[5,5a]N[5])(N[5a]N[5a]H)(NN)	N(NC[5a])(O)2	N(C[5a]N[5,5a]N[5a])(NOO)	C[5a](N[5,5a]C[5,5a]N[5])(N[5a]N[5a]H)(NN){1|C<3>,1|N<3>}	N(NC[5a])(O)2	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	115.2740	1.156	4	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:3:2:	2:1:1:	C[5a]-3:N-3:	N[5a,6]-3:N[5a]-3:N-2:	N-2:O-1:O-1:	N(C[5a]N[5a,6]N[5a])(NOO)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]H)(NN)	N(NC[5a])(O)2	N(C[5a]N[5a,6]N[5a])(NOO)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]H)(NN){1|C<3>,1|N<2>}	N(NC[5a])(O)2	114.5545	1.016	2	114.5545	1.032	2	114.5545	1.032	2	115.2740	1.156	4	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:3:2:	3:2:1:	C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[6a]-3:N-2:H-1:	N(C[5a]C[5a,6a]C[5a])(NC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN)	N(C[6a]C[6a]2)(NC[5a])(H)	N(C[5a]C[5a,6a]C[5a])(NC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[5a])(H)	118.0380	0.000	1	118.0380	0.000	1	118.0380	0.000	1	117.3325	0.995	2	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:3:2:	3:2:1:	C[5a]-3:N-3:	C[5a,6a]-3:N[5a]-3:N-2:	C-3:N-2:H-1:	N(C[5a]C[5a,6a]N[5a])(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NN)	N(CC[6a]O)(NC[5a])(H)	N(C[5a]C[5a,6a]N[5a])(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NN){1|H<1>,1|N<2>,2|C<3>}	N(CC[6a]O)(NC[5a])(H)	116.6270	0.000	1	116.6270	0.000	1	116.6270	0.000	1	117.3325	0.995	2	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP2	N	C[5a]	N	3:3:	3:3:2:	4:2:1:	C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-2:	C-4:N-2:H-1:	N(C[5a]C[5a,6a]C[5a])(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN)	N(CC[6a]CH)(NC[5a])(H)	N(C[5a]C[5a,6a]C[5a])(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN){1|C<4>,1|H<1>,2|C<3>}	N(CC[6a]CH)(NC[5a])(H)	119.4970	0.000	1	119.4970	0.000	1	119.4970	0.000	1	119.4970	0.000	1	116.5293	0.910	131	116.5293	0.910	131
941	727	956	0:SP2_SP2_SP3	N	C[5a]	N	3:3:	3:2:2:	4:2:1:	C[5a]-3:N-3:	N[5a]-3:S[5a]-2:N-2:	S-4:N-2:H-1:	N(C[5a]N[5a]S[5a])(NHS)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN)	N(SC[6a]OO)(NC[5a])(H)	N(C[5a]N[5a]S[5a])(NHS)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN){1|O<1>,3|C<3>}	N(SC[6a]OO)(NC[5a])(H)	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	112.4205	9.095	2	112.4205	9.095	2
941	727	956	0:SP2_SP2_SP3	N	C[5a]	N	3:3:	3:3:2:	3:2:1:	C[5a]-3:N-3:	C[5a,6a]-3:N[5a]-3:N-2:	C-3:N-2:H-1:	N(C[5a]C[5a,6a]N[5a])(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NN)	N(CC[6a]O)(NC[5a])(H)	N(C[5a]C[5a,6a]N[5a])(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NN){1|H<1>,1|N<2>,2|C<3>}	N(CC[6a]O)(NC[5a])(H)	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	112.4205	9.095	2	112.4205	9.095	2
941	727	983	0:SP2_SP1_SP2	N	C[5a]	C	3:2:	3:3:2:	2:1:	C[5a]-3:C-2:	C[5a,5a]-3:C[5a,6a]-3:N-2:	N-2:N-1:	N(C[5a]C[5a,5a]C[5a,6a])(CN)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(NC)	C(NC[5a])(N)	N(C[5a]C[5a,5a]C[5a,6a])(CN)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(NC){1|S<2>,2|H<1>,3|C<3>}	C(NC[5a])(N)	119.8080	0.000	1	119.8080	0.000	1	119.8080	0.000	1	120.2870	0.459	2	120.2870	0.459	2	120.2870	0.459	2
941	727	983	0:SP2_SP1_SP2	N	C[5a]	C	3:2:	3:3:2:	2:1:	C[5a]-3:C-2:	C[5a,5a]-3:N[5a]-3:N-2:	N-2:N-1:	N(C[5a]C[5a,5a]N[5a])(CN)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(NC)	C(NC[5a])(N)	N(C[5a]C[5a,5a]N[5a])(CN)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(NC){1|N<3>,3|C<3>}	C(NC[5a])(N)	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	120.2870	0.459	2	120.2870	0.459	2	120.2870	0.459	2
941	727	992	0:SP2_SP2_SP3	N	C[5a]	P	3:4:	2:2:2:	3:3:2:1:	C[5a]-3:P-4:	N[5a]-2:S[5a]-2:N-2:	C[6a]-3:C[6a]-3:N-2:Se-1:	N(C[5a]N[5a]S[5a])(PC[6a]2Se)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NP)	P(C[6a]C[6a]2)2(NC[5a])(Se)	N(C[5a]N[5a]S[5a])(PC[6a]2Se)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NP){2|C<3>}	P(C[6a]C[6a]2)2(NC[5a])(Se)	125.2270	0.000	1	125.2270	0.000	1	125.2270	0.000	1	125.2270	0.000	1	126.3617	27.500	6	126.3617	27.500	6
941	727	992	0:SP2_SP2_SP3	N	C[5a]	P	3:4:	3:2:2:	3:3:3:2:	C[5a]-3:P-4:	C[5a]-3:N[5a]-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[5a]C[5a]N[5a])(PC[6a]3)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NP)	P(C[6a]C[6a]2)3(NC[5a])	N(C[5a]C[5a]N[5a])(PC[6a]3)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NP){1|C<3>}	P(C[6a]C[6a]2)3(NC[5a])	122.9490	0.701	2	122.9490	0.492	2	122.9490	0.492	2	126.5886	33.989	5	126.3617	27.500	6	126.3617	27.500	6
941	727	992	0:SP2_SP2_SP3	N	C[5a]	P	3:4:	3:2:2:	3:3:3:2:	C[5a]-3:P-4:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[5a]C[5a]S[5a])(PC[6a]3)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NP)	P(C[6a]C[6a]2)3(NC[5a])	N(C[5a]C[5a]S[5a])(PC[6a]3)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NP){2|C<4>}	P(C[6a]C[6a]2)3(NC[5a])	130.6780	0.000	1	130.6780	0.000	1	132.7315	8.434	2	126.5886	33.989	5	126.3617	27.500	6	126.3617	27.500	6
941	727	992	0:SP2_SP2_SP3	N	C[5a]	P	3:4:	3:2:2:	3:3:3:2:	C[5a]-3:P-4:	C[5a]-3:S[5a]-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[5a]C[5a]S[5a])(PC[6a]3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NP)	P(C[6a]C[6a]2)3(NC[5a])	N(C[5a]C[5a]S[5a])(PC[6a]3)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NP){1|C<3>,1|C<4>}	P(C[6a]C[6a]2)3(NC[5a])	134.7850	0.000	1	134.7850	0.000	1	132.7315	8.434	2	126.5886	33.989	5	126.3617	27.500	6	126.3617	27.500	6
941	727	992	0:SP2_SP2_SP3	N	C[5a]	P	3:4:	3:2:2:	3:3:3:2:	C[5a]-3:P-4:	N[5a]-3:N[5a]-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(C[5a]N[5a]2)(PC[6a]3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(NP)	P(C[6a]C[6a]2)3(NC[5a])	N(C[5a]N[5a]2)(PC[6a]3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(NP){1|C<3>,1|C<4>}	P(C[6a]C[6a]2)3(NC[5a])	121.5820	0.000	1	121.5820	0.000	1	121.5820	0.000	1	126.5886	33.989	5	126.3617	27.500	6	126.3617	27.500	6
941	730	941	0:SP2_SP2_SP2	N	As	N	3:2:	2:2:2:	2:1:	As-3:N-2:	N-2:N-2:N-2:	N-2:N-1:	N(AsNN)(NN)	As(NN)3	N(NAs)(N)	N(AsNN)(NN)	As(NN)3	N(NAs)(N)	118.3273	2.150	3	118.3273	4.622	3	118.3273	4.622	3	118.3273	4.622	3	118.3273	4.622	3	118.3273	4.622	3
941	762	762	0:SP2_SP2_SP2	N	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	N(C[6]C[6]2)2	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6])	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6])	N(C[6]C[6]2)2	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]){1|C<3>,2|H<1>}	119.2660	0.000	1	119.2660	0.000	1	119.2660	0.000	1	127.7193	10.848	16	127.7193	10.848	16	127.7193	10.848	16
941	762	762	0:SP2_SP2_SP2	N	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:N-2:	N(C[6]C[6]N[6])2	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6])	N(C[6]C[6]N[6])2	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]){1|C<3>,2|H<1>}	122.3490	0.000	1	122.3490	0.000	1	122.3490	0.000	1	127.7193	10.848	16	127.7193	10.848	16	127.7193	10.848	16
941	762	762	0:SP2_SP2_SP2	N	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(NC[6])	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(NC[6])	N(C[6]C[6]N[6])2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(NC[6]){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(NC[6]){1|C<3>,1|H<1>,1|N<3>}	127.8010	0.000	1	127.8010	0.000	1	128.7067	3.752	14	127.7193	10.848	16	127.7193	10.848	16	127.7193	10.848	16
941	762	762	0:SP2_SP2_SP2	N	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])2	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6])	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6])	N(C[6]C[6]N[6])2	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6]){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6]){1|H<1>,2|C<3>}	126.4215	0.729	2	126.4215	0.531	2	128.7067	3.752	14	127.7193	10.848	16	127.7193	10.848	16	127.7193	10.848	16
941	762	762	0:SP2_SP2_SP2	N	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6])	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6])	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	127.5215	0.742	2	127.5215	0.550	2	128.7067	3.752	14	127.7193	10.848	16	127.7193	10.848	16	127.7193	10.848	16
941	762	762	0:SP2_SP2_SP2	N	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6])	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6])	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6]){1|C<3>,2|H<1>}	133.0390	0.000	1	133.0390	0.000	1	128.7067	3.752	14	127.7193	10.848	16	127.7193	10.848	16	127.7193	10.848	16
941	762	762	0:SP2_SP2_SP2	N	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6])	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	129.2200	0.571	2	129.2200	0.326	2	128.7067	3.752	14	127.7193	10.848	16	127.7193	10.848	16	127.7193	10.848	16
941	762	762	0:SP2_SP2_SP2	N	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6])	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6])	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]){1|C<3>,1|C<4>,1|H<1>}	129.0920	0.000	1	129.0920	0.000	1	128.7067	3.752	14	127.7193	10.848	16	127.7193	10.848	16	127.7193	10.848	16
941	762	762	0:SP2_SP2_SP2	N	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6])	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6])	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	127.2250	0.000	1	127.2250	0.000	1	128.7067	3.752	14	127.7193	10.848	16	127.7193	10.848	16	127.7193	10.848	16
941	762	762	0:SP2_SP2_SP2	N	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6])	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	130.3110	0.000	1	130.3110	0.000	1	128.7067	3.752	14	127.7193	10.848	16	127.7193	10.848	16	127.7193	10.848	16
941	762	762	0:SP2_SP2_SP2	N	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6])	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6])	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	131.6110	0.000	1	129.3667	3.885	3	128.7067	3.752	14	127.7193	10.848	16	127.7193	10.848	16	127.7193	10.848	16
941	762	762	0:SP2_SP2_SP2	N	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6])	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6])	N(C[6]C[6]N[6])2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	128.2445	0.463	2	129.3667	3.885	3	128.7067	3.752	14	127.7193	10.848	16	127.7193	10.848	16	127.7193	10.848	16
941	762	790	0:SP2_SP-NON_SP2	N	C[6]	Cl	3:1:	3:4:2:	2:	C[6]-3:Cl-1:	C[6,6a]-3:C[6]-4:N-2:	N-2:	N(C[6]C[6,6a]C[6])(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCl)	Cl(NC[6])	N(C[6]C[6,6a]C[6])(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCl){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	Cl(NC[6])	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1
941	762	818	0:SP2_SP2_SP2	N	C[6]	C[5]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[5]-3:	C[6]-3:N[6]-3:N-2:	N[5]-3:N[5]-3:N-2:	N(C[6]C[6]N[6])(C[5]N[5]2)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5])	C[5](N[5]C[5]C)2(NC[6])	N(C[6]C[6]N[6])(C[5]N[5]2)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[5](N[5]C[5]C)2(NC[6]){4|H<1>}	122.2260	3.394	2	122.2260	11.520	2	122.2260	11.520	2	122.2260	11.520	2	122.1555	4.049	11	122.1555	4.049	11
941	762	818	0:SP2_SP2_SP2	N	C[6]	C[5]	3:3:	3:3:2:	4:3:2:	C[6]-3:C[5]-3:	C[6,6a]-3:N[6]-3:N-2:	C[5]-4:N[5]-3:N-2:	N(C[6]C[6,6a]N[6])(C[5]C[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(NC[5])	C[5](C[5]C[5]CC)(N[5]C[5]Co)(NC[6])	N(C[6]C[6,6a]N[6])(C[5]C[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(NC[5]){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5]Co)(NC[6]){1|C<3>,2|C<4>}	123.3135	0.535	2	123.3135	0.287	2	122.7322	0.528	8	122.7322	0.528	8	122.1555	4.049	11	122.1555	4.049	11
941	762	818	0:SP2_SP2_SP2	N	C[6]	C[5]	3:3:	3:3:2:	4:3:2:	C[6]-3:C[5]-3:	C[6,6a]-3:N[6]-3:N-2:	C[5]-4:N[5]-3:N-2:	N(C[6]C[6,6a]N[6])(C[5]C[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[5])	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(NC[6])	N(C[6]C[6,6a]N[6])(C[5]C[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[5]){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(NC[6]){1|C<3>,2|C<4>}	123.3065	0.568	2	123.3065	0.322	2	122.7322	0.528	8	122.7322	0.528	8	122.1555	4.049	11	122.1555	4.049	11
941	762	818	0:SP2_SP2_SP2	N	C[6]	C[5]	3:3:	3:3:2:	4:3:2:	C[6]-3:C[5]-3:	C[6,6a]-3:N[6]-3:N-2:	C[5]-4:N[5]-3:N-2:	N(C[6]C[6,6a]N[6])(C[5]C[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(NC[5])	C[5](C[5]C[5]CC)(N[5]C[5]Ni)(NC[6])	N(C[6]C[6,6a]N[6])(C[5]C[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(NC[5]){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5]Ni)(NC[6]){1|C<3>,2|C<4>}	122.1545	0.372	4	122.1545	0.139	4	122.7322	0.528	8	122.7322	0.528	8	122.1555	4.049	11	122.1555	4.049	11
941	762	818	0:SP2_SP2_SP2	N	C[6]	C[5]	3:3:	4:3:2:	3:3:2:	C[5]-3:C[6]-3:	C[6]-4:C[6]-3:N-2:	C[5,6a]-3:N[5]-3:N-2:	N(C[5]C[5,6a]N[5])(C[6]C[6]2)	C[6](C[6]C[6]FeH)(C[6]C[6]H)(NC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6])	N(C[5]C[5,6a]N[5])(C[6]C[6]2)	C[6](C[6]C[6]FeH)(C[6]C[6]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(NC[6]){1|N<2>,2|C<3>,2|H<1>}	117.4010	0.000	1	117.4010	0.000	1	117.4010	0.000	1	117.4010	0.000	1	122.1555	4.049	11	122.1555	4.049	11
941	762	849	0:SP2_SP2_SP3	N	C[6]	P[6]	3:4:	3:3:2:	2:2:2:1:	C[6]-3:P[6]-4:	C[6]-3:N[6]-3:N-2:	N[6]-2:N[6]-2:N-2:Cl-1:	N(C[6]C[6]N[6])(P[6]N[6]2Cl)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP[6])	P[6](N[6]P[6])2(NC[6])(Cl)	N(C[6]C[6]N[6])(P[6]N[6]2Cl)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(NC[6])(Cl){4|Cl<1>,1|N<2>}	123.4790	0.000	1	123.4790	0.000	1	123.4790	0.000	1	123.4790	0.000	1	123.4790	0.000	1	123.4790	0.000	1
941	762	863	0:SP2_SP2_SP2	N	C[6]	O	3:1:	3:3:2:	2:	C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(NO)	O(NC[6])	N(C[6]C[6]2)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(NO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6])	113.4520	0.000	1	113.4520	0.000	1	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8
941	762	863	0:SP2_SP2_SP2	N	C[6]	O	3:1:	3:3:2:	2:	C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(NO)	O(NC[6])	N(C[6]C[6]2)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(NO){1|C<4>,4|H<1>}	O(NC[6])	118.1910	0.000	1	118.1910	0.000	1	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8
941	762	863	0:SP2_SP2_SP2	N	C[6]	O	3:1:	3:3:2:	2:	C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO)	O(NC[6])	N(C[6]C[6]2)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO){1|C<3>,1|C<4>}	O(NC[6])	119.2000	0.000	1	118.7240	0.217	3	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8
941	762	863	0:SP2_SP2_SP2	N	C[6]	O	3:1:	3:3:2:	2:	C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO)	O(NC[6])	N(C[6]C[6]2)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO){1|C<3>}	O(NC[6])	118.7040	0.000	1	118.7240	0.217	3	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8
941	762	863	0:SP2_SP2_SP2	N	C[6]	O	3:1:	3:3:2:	2:	C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO)	O(NC[6])	N(C[6]C[6]2)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO){1|Sr<10>,2|C<4>}	O(NC[6])	118.2680	0.000	1	118.7240	0.217	3	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8
941	762	863	0:SP2_SP2_SP2	N	C[6]	O	3:1:	3:3:2:	2:	C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(O)	C[6](C[6]N[6]O)2(NO)	O(NC[6])	N(C[6]C[6]2)(O)	C[6](C[6]N[6]O)2(NO){1|C<3>,2|C<4>}	O(NC[6])	119.6850	0.000	1	118.7453	0.682	3	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8
941	762	863	0:SP2_SP2_SP2	N	C[6]	O	3:1:	3:3:2:	2:	C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	N-2:	N(C[6]C[6]2)(O)	C[6](C[6]N[6]O)2(NO)	O(NC[6])	N(C[6]C[6]2)(O)	C[6](C[6]N[6]O)2(NO){1|C<3>,2|H<1>}	O(NC[6])	118.2755	0.200	2	118.7453	0.682	3	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8	118.0064	3.680	8
941	762	880	0:SP2_SP2_SP3	N	C[6]	Si	3:4:	3:3:2:	2:4:4:4:	C[6]-3:Si-4:	C[6]-3:C[6]-3:N-2:	N-2:C-4:C-4:C-4:	N(C[6]C[6]2)(SiC3)	C[6](C[6]C[6]C)2(NSi)	Si(NC[6])(CH3)3	N(C[6]C[6]2)(SiC3)	C[6](C[6]C[6]C)2(NSi){1|C<4>,2|H<1>}	Si(NC[6])(CH3)3	175.8320	0.000	1	175.8320	0.000	1	175.8320	0.000	1	137.4363	354.608	6	137.4363	354.608	6	137.4363	354.608	6
941	762	880	0:SP2_SP2_SP3	N	C[6]	Si	3:4:	3:3:2:	2:4:4:4:	C[6]-3:Si-4:	C[6]-3:N[6]-3:N-2:	N-2:C-4:C-4:C-4:	N(C[6]C[6]N[6])(SiC3)	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi)	Si(NC[6])(CH3)3	N(C[6]C[6]N[6])(SiC3)	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi){1|C<3>,1|H<1>,1|N<2>}	Si(NC[6])(CH3)3	130.6065	0.957	2	130.6065	0.915	2	130.6065	0.915	2	137.4363	354.608	6	137.4363	354.608	6	137.4363	354.608	6
941	762	880	0:SP2_SP2_SP3	N	C[6]	Si	3:4:	3:3:2:	2:4:4:4:	C[6]-3:Si-4:	N[6]-3:C[6]-3:N-2:	N-2:C-4:C-4:C-4:	N(C[6]C[6]N[6])(SiC3)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NSi)	Si(NC[6])(CH3)3	N(C[6]C[6]N[6])(SiC3)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NSi){1|C<3>,1|H<1>,1|N<3>}	Si(NC[6])(CH3)3	129.1910	0.569	3	129.1910	0.324	3	129.1910	0.324	3	137.4363	354.608	6	137.4363	354.608	6	137.4363	354.608	6
941	762	887	0:SP2_SP2_SP3	N	C[6]	S	3:3:	3:4:2:	2:4:1:	C[6]-3:S-3:	C[5a,6]-3:C[6]-4:N-2:	N-2:C-4:O-1:	N(C[6]C[5a,6]C[6])(SCO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS)	S(NC[6])(CC3)(O)	N(C[6]C[5a,6]C[6])(SCO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	S(NC[6])(CC3)(O)	116.6680	0.000	1	116.6680	0.000	1	116.6680	0.000	1	119.5380	22.743	3	119.5380	22.743	3	119.5380	22.743	3
941	762	887	0:SP2_SP2_SP3	N	C[6]	S	3:3:	3:4:2:	2:4:1:	C[6]-3:S-3:	C[6,6a]-3:C[6]-4:N-2:	N-2:C-4:O-1:	N(C[6]C[6,6a]C[6])(SCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)	S(NC[6])(CC3)(O)	N(C[6]C[6,6a]C[6])(SCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS){1|C<4>,2|C<3>,3|H<1>}	S(NC[6])(CC3)(O)	120.9730	5.756	2	120.9730	33.130	2	120.9730	33.130	2	119.5380	22.743	3	119.5380	22.743	3	119.5380	22.743	3
941	762	893	0:SP2_SP2_SP2	N	C[6,6]	O	3:2:	4:3:2:	2:1:	C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:N-2:	N-2:H-1:	N(C[6,6]C[3x6]C[6,6])(OH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NO)	O(NC[6,6])(H)	N(C[6,6]C[3x6]C[6,6])(OH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NO){2|C<4>,4|H<1>}	O(NC[6,6])(H)	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	110.2130	1.828	4	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6,6]	O	3:2:	4:4:2:	2:1:	C[6,6]-3:O-2:	C[6,6]-4:C[6,6]-4:N-2:	N-2:H-1:	N(C[6,6]C[6,6]2)(OH)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6]H)(NO)	O(NC[6,6])(H)	N(C[6,6]C[6,6]2)(OH)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6]H)(NO){1|N<3>,3|H<1>,5|C<4>}	O(NC[6,6])(H)	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	110.2130	1.828	4	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6,6]	O	3:2:	4:4:2:	3:2:	C[6,6]-3:O-2:	C[3x6]-4:C[6,6]-4:N-2:	C-3:N-2:	N(C[6,6]C[3x6]C[6,6])(OC)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO)	O(CC[6a]O)(NC[6,6])	N(C[6,6]C[3x6]C[6,6])(OC)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(NO){1|C<3>,1|N<3>,2|H<1>}	O(CC[6a]O)(NC[6,6])	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	110.2130	1.828	4	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6,6]	O	3:2:	4:4:2:	4:2:	C[6,6]-3:O-2:	C[6,6]-4:C[6,6]-4:N-2:	C-4:N-2:	N(C[6,6]C[6,6]2)(OC)	C[6,6](C[6,6]C[6]2H)2(NO)	O(CC[6a]HH)(NC[6,6])	N(C[6,6]C[6,6]2)(OC)	C[6,6](C[6,6]C[6]2H)2(NO){2|N<3>,4|C<3>,4|H<1>}	O(CC[6a]HH)(NC[6,6])	110.0000	0.000	1	110.0000	0.000	1	110.0000	0.000	1	110.0000	0.000	1	110.2130	1.828	4	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	2:3:2:	2:1:	C[6]-3:O-2:	S[6]-2:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]S[6])(OH)	C[6](S[6]C[6,6a])(C[6]N[6]N)(NO)	O(NC[6])(H)	N(C[6]C[6]S[6])(OH)	C[6](S[6]C[6,6a])(C[6]N[6]N)(NO){1|H<1>,2|C<3>}	O(NC[6])(H)	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:2:2:	2:1:	C[6]-3:O-2:	C[6,6a]-3:N[6]-2:N-2:	N-2:H-1:	N(C[6]C[6,6a]N[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(NO)	O(NC[6])(H)	N(C[6]C[6,6a]N[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(NO){1|H<1>,1|N<3>,3|C<3>}	O(NC[6])(H)	113.8377	0.154	3	113.8377	0.024	3	113.8377	0.024	3	113.8377	0.024	3	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:2:2:	2:4:	C[6]-3:O-2:	C[6,6a]-3:O[6]-2:N-2:	N-2:C-4:	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O(NC[6])(CH3)	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|C<4>,1|H<1>,3|C<3>}	O(NC[6])(CH3)	112.2100	0.000	1	111.2273	0.288	6	111.2273	0.288	6	111.2273	0.288	6	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:2:2:	2:4:	C[6]-3:O-2:	C[6,6a]-3:O[6]-2:N-2:	N-2:C-4:	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O(NC[6])(CH3)	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|C<4>,2|C<3>,3|H<1>}	O(NC[6])(CH3)	110.7670	0.000	1	111.2273	0.288	6	111.2273	0.288	6	111.2273	0.288	6	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:2:2:	2:4:	C[6]-3:O-2:	C[6,6a]-3:O[6]-2:N-2:	N-2:C-4:	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O(NC[6])(CH3)	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|H<1>,4|C<3>}	O(NC[6])(CH3)	111.2250	0.358	2	111.2273	0.288	6	111.2273	0.288	6	111.2273	0.288	6	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:2:2:	2:4:	C[6]-3:O-2:	C[6,6a]-3:O[6]-2:N-2:	N-2:C-4:	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O(NC[6])(CH3)	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){2|C<3>,2|C<4>,2|H<1>}	O(NC[6])(CH3)	110.9685	0.002	2	111.2273	0.288	6	111.2273	0.288	6	111.2273	0.288	6	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:1:	C[6]-3:O-2:	C[6,6a]-3:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	O(NC[6])(H)	N(C[6]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){1|Cl<1>,1|H<1>,3|C<3>}	O(NC[6])(H)	115.9240	0.124	2	116.4715	0.698	4	116.4715	0.698	4	113.7896	10.546	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:1:	C[6]-3:O-2:	C[6,6a]-3:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	O(NC[6])(H)	N(C[6]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){1|H<1>,1|I<1>,3|C<3>}	O(NC[6])(H)	116.3560	0.000	1	116.4715	0.698	4	116.4715	0.698	4	113.7896	10.546	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:1:	C[6]-3:O-2:	C[6,6a]-3:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	O(NC[6])(H)	N(C[6]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){2|H<1>,3|C<3>}	O(NC[6])(H)	117.6820	0.000	1	116.4715	0.698	4	116.4715	0.698	4	113.7896	10.546	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:1:	C[6]-3:O-2:	C[6]-3:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]H)(C[6]C[6]N)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]H)(C[6]C[6]N)(NO){1|C<3>,2|H<1>}	O(NC[6])(H)	112.4800	0.000	1	112.4800	0.000	1	114.3287	4.897	10	113.7896	10.546	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:1:	C[6]-3:O-2:	C[6]-3:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(NO){1|C<3>,2|H<1>}	O(NC[6])(H)	113.0570	0.116	2	113.0570	0.013	2	114.3287	4.897	10	113.7896	10.546	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:1:	C[6]-3:O-2:	C[6]-3:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]H)2(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]H)2(NO){1|C<3>,2|C<4>}	O(NC[6])(H)	111.8175	1.529	2	111.8175	2.339	2	114.3287	4.897	10	113.7896	10.546	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:1:	C[6]-3:O-2:	C[6]-3:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]O)2(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]O)2(NO){1|C<3>,1|C<4>,1|N<3>}	O(NC[6])(H)	118.0640	0.000	1	118.0640	0.000	1	114.3287	4.897	10	113.7896	10.546	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:1:	C[6]-3:O-2:	C[6]-3:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]N[6]O)2(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]N[6]O)2(NO){1|C<3>,1|H<1>}	O(NC[6])(H)	115.9230	0.000	1	115.7485	0.145	4	114.3287	4.897	10	113.7896	10.546	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:1:	C[6]-3:O-2:	C[6]-3:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]N[6]O)2(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]N[6]O)2(NO){1|C<3>,2|H<1>}	O(NC[6])(H)	115.6903	0.445	3	115.7485	0.145	4	114.3287	4.897	10	113.7896	10.546	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:1:	C[6]-3:O-2:	N[6]-3:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]N[6])(OH)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(NO)	O(NC[6])(H)	N(C[6]C[6]N[6])(OH)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(NO){1|H<1>,2|C<3>}	O(NC[6])(H)	109.9670	0.000	1	109.9670	0.000	1	109.0955	1.519	2	113.7896	10.546	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:1:	C[6]-3:O-2:	N[6]-3:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]N[6])(OH)	C[6](N[6]C[6,6a]H)(C[6]S[6]N)(NO)	O(NC[6])(H)	N(C[6]C[6]N[6])(OH)	C[6](N[6]C[6,6a]H)(C[6]S[6]N)(NO){2|C<3>}	O(NC[6])(H)	108.2240	0.000	1	108.2240	0.000	1	109.0955	1.519	2	113.7896	10.546	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:1:	C[6]-3:O-2:	N[6]-3:N[6]-3:N-2:	N-2:H-1:	N(C[6]N[6]2)(OH)	C[6](N[6]C[6]C)(N[6]C[6]H)(NO)	O(NC[6])(H)	N(C[6]N[6]2)(OH)	C[6](N[6]C[6]C)(N[6]C[6]H)(NO){1|N<3>,2|O<1>}	O(NC[6])(H)	107.0590	0.000	1	107.0590	0.000	1	107.0590	0.000	1	113.7896	10.546	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:4:	C[6]-3:O-2:	C[5,6]-3:N[6]-3:N-2:	N-2:C-4:	N(C[6]C[5,6]N[6])(OC)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO)	O(NC[6])(CH3)	N(C[6]C[5,6]N[6])(OC)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO){1|Cd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	O(NC[6])(CH3)	109.3653	1.792	4	108.8546	1.924	8	108.8546	1.924	8	109.7241	5.704	14	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:4:	C[6]-3:O-2:	C[5,6]-3:N[6]-3:N-2:	N-2:C-4:	N(C[6]C[5,6]N[6])(OC)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO)	O(NC[6])(CH3)	N(C[6]C[5,6]N[6])(OC)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	O(NC[6])(CH3)	108.3440	0.764	4	108.8546	1.924	8	108.8546	1.924	8	109.7241	5.704	14	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:4:	C[6]-3:O-2:	C[5a,6]-3:C[6,6a]-3:N-2:	N-2:C-4:	N(C[6]C[5a,6]C[6,6a])(OC)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(NO)	O(NC[6])(CH3)	N(C[6]C[5a,6]C[6,6a])(OC)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(NO){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	O(NC[6])(CH3)	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	109.7241	5.704	14	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:4:	C[6]-3:O-2:	C[5a,6]-3:N[6]-3:N-2:	N-2:C-4:	N(C[6]C[5a,6]N[6])(OC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO)	O(NC[6])(CH3)	N(C[6]C[5a,6]N[6])(OC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(NC[6])(CH3)	105.4250	0.000	1	105.4250	0.000	1	105.4250	0.000	1	109.7241	5.704	14	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:4:	C[6]-3:O-2:	C[6,6a]-3:C[6]-3:N-2:	N-2:C-4:	N(C[6]C[6,6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	O(NC[6])(CCHH)	N(C[6]C[6,6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){2|H<1>,3|C<3>}	O(NC[6])(CCHH)	114.8290	0.000	1	114.8290	0.000	1	114.8290	0.000	1	109.7241	5.704	14	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:4:	C[6]-3:O-2:	C[6,6a]-3:N[6]-3:N-2:	N-2:C-4:	N(C[6]C[6,6a]N[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ti)(NO)	O(NC[6])(CC3)	N(C[6]C[6,6a]N[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ti)(NO){1|F<1>,1|N<3>,2|C<3>}	O(NC[6])(CC3)	111.7650	0.000	1	111.7650	0.000	1	111.7650	0.000	1	109.7241	5.704	14	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:3:2:	2:4:	C[6]-3:O-2:	C[6]-3:C[6]-3:N-2:	N-2:C-4:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NO)	O(NC[6])(CH3)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NO){1|H<1>,2|C<4>}	O(NC[6])(CH3)	111.0125	0.508	2	111.0125	0.258	2	111.0125	0.258	2	109.7241	5.704	14	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:4:2:	2:1:	C[6]-3:O-2:	C[5a,6]-3:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[5a,6]C[6])(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[5a,6]C[6])(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(NO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(NC[6])(H)	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	113.5337	3.631	7	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:4:2:	2:1:	C[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:N-2:	N-2:H-1:	N(C[6]C[6,6a]C[6,6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NO)	O(NC[6])(H)	N(C[6]C[6,6a]C[6,6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NO){1|C<4>,3|H<1>,5|C<3>}	O(NC[6])(H)	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	113.5337	3.631	7	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:4:2:	2:1:	C[6]-3:O-2:	C[6,6a]-3:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(NO)	O(NC[6])(H)	N(C[6]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(NO){1|C<4>,2|C<3>,3|H<1>}	O(NC[6])(H)	115.6705	0.214	2	115.6705	0.046	2	114.7228	2.677	4	113.5337	3.631	7	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:4:2:	2:1:	C[6]-3:O-2:	C[6,6a]-3:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|C<4>,2|C<3>,3|H<1>}	O(NC[6])(H)	112.2930	0.000	1	112.2930	0.000	1	114.7228	2.677	4	113.5337	3.631	7	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:4:2:	2:1:	C[6]-3:O-2:	C[6,6a]-3:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]OS)(NO)	O(NC[6])(H)	N(C[6]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]OS)(NO){1|C<4>,1|H<1>,2|C<3>}	O(NC[6])(H)	115.2570	0.000	1	115.2570	0.000	1	114.7228	2.677	4	113.5337	3.631	7	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:4:2:	2:1:	C[6]-3:O-2:	C[6]-3:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NO){1|C<4>,2|H<1>,3|C<3>}	O(NC[6])(H)	112.4130	0.000	1	112.4130	0.000	1	112.4130	0.000	1	113.5337	3.631	7	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:4:2:	2:4:	C[6]-3:O-2:	C[6]-3:C[6]-4:N-2:	N-2:C-4:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NO)	O(NC[6])(CH3)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	O(NC[6])(CH3)	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:4:2:	3:2:	C[6]-3:O-2:	C[6,6a]-3:C[6]-4:N-2:	C-3:N-2:	N(C[6]C[6,6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	O(CC[6a]O)(NC[6])	N(C[6]C[6,6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(CC[6a]O)(NC[6])	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:4:2:	4:2:	C[6]-3:O-2:	C[6,6a]-3:C[6]-4:N-2:	S-4:N-2:	N(C[6]C[6,6a]C[6])(OS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	O(SC[6a]OO)(NC[6])	N(C[6]C[6,6a]C[6])(OS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	O(SC[6a]OO)(NC[6])	108.7485	0.590	2	108.7485	0.349	2	108.7485	0.349	2	109.3407	1.226	3	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	3:4:2:	4:2:	C[6]-3:O-2:	C[6]-3:C[6]-4:N-2:	C-4:N-2:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NO)	O(CC[6a]HH)(NC[6])	N(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	O(CC[6a]HH)(NC[6])	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	109.3407	1.226	3	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:2:2:	4:2:	C[6]-3:O-2:	C[6]-4:O[6]-2:N-2:	C-4:N-2:	N(C[6]C[6]O[6])(OC)	C[6](C[6]N[6]CH)(O[6]C[6])(NO)	O(CC[6a]HH)(NC[6])	N(C[6]C[6]O[6])(OC)	C[6](C[6]N[6]CH)(O[6]C[6])(NO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(CC[6a]HH)(NC[6])	112.4960	0.000	1	112.4960	0.000	1	112.4960	0.000	1	112.4960	0.000	1	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:3:2:	2:1:	C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:N-2:	N-2:H-1:	N(C[6]C[6,6a]C[6,6])(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NO)	O(NC[6])(H)	N(C[6]C[6,6a]C[6,6])(OH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NO){1|C<4>,3|H<1>,4|C<3>}	O(NC[6])(H)	113.4665	0.802	4	113.4665	0.644	4	113.4665	0.644	4	112.0112	1.090	16	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:3:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){1|Br<1>,1|C<4>,2|H<1>}	O(NC[6])(H)	111.7150	0.000	1	111.7150	0.000	1	111.6550	0.379	8	112.0112	1.090	16	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:3:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NO){1|C<4>,1|S<2>,2|H<1>}	O(NC[6])(H)	110.9470	0.000	1	110.9470	0.000	1	111.6550	0.379	8	112.0112	1.090	16	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:3:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NO){1|C<4>,4|H<1>}	O(NC[6])(H)	112.0785	0.346	2	112.0785	0.120	2	111.6550	0.379	8	112.0112	1.090	16	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:3:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]O[6]C)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]O[6]C)(NO){1|C<4>,2|H<1>}	O(NC[6])(H)	111.6052	0.744	4	111.6052	0.553	4	111.6550	0.379	8	112.0112	1.090	16	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:3:2:	2:1:	C[6]-3:O-2:	C[6]-4:N[6]-3:N-2:	N-2:H-1:	N(C[6]C[6]N[6])(OH)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO)	O(NC[6])(H)	N(C[6]C[6]N[6])(OH)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO){1|C<4>,1|N<2>,2|H<1>}	O(NC[6])(H)	111.2682	0.157	4	111.2682	0.025	4	111.2682	0.025	4	112.0112	1.090	16	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:3:2:	2:3:	C[6]-3:O-2:	C[6]-4:C[6]-3:N-2:	N-2:C-3:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(NO)	O(NC[6])(CCO)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(NO){1|H<1>,3|C<4>}	O(NC[6])(CCO)	109.5540	0.000	1	109.5540	0.000	1	109.7800	0.102	2	109.7800	0.102	2	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:3:2:	2:3:	C[6]-3:O-2:	C[6]-4:C[6]-3:N-2:	N-2:C-3:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	O(NC[6])(CCN)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){2|C<4>,2|H<1>}	O(NC[6])(CCN)	110.0060	0.000	1	110.0060	0.000	1	109.7800	0.102	2	109.7800	0.102	2	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:3:2:	2:4:	C[6]-3:O-2:	C[6]-4:C[6]-3:N-2:	N-2:C-4:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	O(NC[6])(CH3)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){1|C<4>,1|O<2>,2|H<1>}	O(NC[6])(CH3)	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[5,6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[5,6]C[6])(OH)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(NO)	O(NC[6])(H)	N(C[6]C[5,6]C[6])(OH)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(NO){3|H<1>,5|C<4>}	O(NC[6])(H)	111.8360	0.000	1	111.8360	0.000	1	112.4432	0.211	5	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[5,6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[5,6]C[6])(OH)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]HH)(NO)	O(NC[6])(H)	N(C[6]C[5,6]C[6])(OH)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]HH)(NO){2|O<2>,5|C<4>}	O(NC[6])(H)	113.0850	0.000	1	113.0850	0.000	1	112.4432	0.211	5	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[5,6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[5,6]C[6])(OH)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[5,6]C[6])(OH)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NO){1|S<4>,2|C<4>,4|H<1>}	O(NC[6])(H)	112.4130	0.000	1	112.4130	0.000	1	112.4432	0.211	5	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[5,6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[5,6]C[6])(OH)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[5,6]C[6])(OH)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	O(NC[6])(H)	112.4410	0.250	2	112.4410	0.063	2	112.4432	0.211	5	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6,6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6,6]C[6])(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[6,6]C[6])(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NO){2|C<3>,2|C<4>,4|H<1>}	O(NC[6])(H)	113.6455	0.882	2	113.6455	0.778	2	113.1686	0.487	5	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6,6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6,6]C[6])(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(NO)	O(NC[6])(H)	N(C[6]C[6,6]C[6])(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(NO){3|H<1>,5|C<4>}	O(NC[6])(H)	113.0750	0.330	2	113.0750	0.109	2	113.1686	0.487	5	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6,6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6,6]C[6])(OH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[6,6]C[6])(OH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>,2|O<2>}	O(NC[6])(H)	112.4020	0.000	1	112.4020	0.000	1	113.1686	0.487	5	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	O(NC[6])(H)	113.4750	0.000	1	113.4750	0.000	1	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	O(NC[6])(H)	114.4310	0.000	1	114.4310	0.000	1	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NO){2|C<3>,2|H<1>}	O(NC[6])(H)	111.2360	0.000	1	111.2360	0.000	1	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|N<2>,3|C<4>}	O(NC[6])(H)	113.8555	0.101	2	113.8555	0.010	2	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	O(NC[6])(H)	111.7450	0.598	4	111.7450	0.357	4	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]CH)2(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]CH)2(NO){1|C<4>,4|H<1>}	O(NC[6])(H)	114.1910	0.000	1	112.8293	0.861	4	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]CH)2(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]CH)2(NO){1|N<3>,2|C<3>,2|H<1>}	O(NC[6])(H)	112.3753	0.236	3	112.8293	0.861	4	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NO){1|C<4>,4|H<1>}	O(NC[6])(H)	112.8380	0.000	1	112.8380	0.000	1	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO){1|C<4>,4|H<1>}	O(NC[6])(H)	113.0240	0.000	1	113.0240	0.000	1	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)2(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)2(NO){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	O(NC[6])(H)	113.3720	0.000	1	113.1745	0.292	10	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)2(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)2(NO){1|C<3>,1|C<4>,3|H<1>}	O(NC[6])(H)	113.1470	0.137	2	113.1745	0.292	10	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)2(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)2(NO){1|C<4>,4|H<1>}	O(NC[6])(H)	113.1541	0.654	7	113.1745	0.292	10	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	O(NC[6])(H)	112.9030	0.000	1	111.8307	0.864	3	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:1:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:H-1:	N(C[6]C[6]2)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO)	O(NC[6])(H)	N(C[6]C[6]2)(OH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NO){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	O(NC[6])(H)	111.2945	0.050	2	111.8307	0.864	3	112.7946	0.909	28	112.7976	0.774	38	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:3:	C[6]-3:O-2:	C[5,6]-4:C[6]-4:N-2:	N-2:C-3:	N(C[6]C[5,6]C[6])(OC)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO)	O(NC[6])(CCO)	N(C[6]C[5,6]C[6])(OC)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	O(NC[6])(CCO)	109.4000	0.000	1	109.4000	0.000	1	109.4000	0.000	1	110.1754	1.569	5	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:3:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:C-3:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	O(NC[6])(CCN)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|C<3>,1|C<4>,2|H<1>}	O(NC[6])(CCN)	112.3060	0.000	1	112.3060	0.000	1	110.3692	1.842	4	110.1754	1.569	5	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:3:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:C-3:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	O(NC[6])(COO)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	O(NC[6])(COO)	109.8745	0.623	2	109.8745	0.388	2	110.3692	1.842	4	110.1754	1.569	5	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:3:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:C-3:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]HH)2(NO)	O(NC[6])(CCN)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]HH)2(NO){1|C<4>,4|H<1>}	O(NC[6])(CCN)	109.4220	0.000	1	109.4220	0.000	1	110.3692	1.842	4	110.1754	1.569	5	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:4:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:C-4:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO)	O(NC[6])(CH3)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NO){2|C<4>,3|H<1>}	O(NC[6])(CH3)	111.4687	0.313	3	111.4687	0.098	3	111.3604	1.167	10	111.3861	1.058	11	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:4:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:C-4:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(NO)	O(NC[6])(CH3)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(NO){2|H<1>,3|C<4>}	O(NC[6])(CH3)	112.0790	0.000	1	112.0790	0.000	1	111.3604	1.167	10	111.3861	1.058	11	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:4:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:C-4:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	O(NC[6])(CH3)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|C<4>,4|H<1>}	O(NC[6])(CH3)	112.9710	0.000	1	112.6060	0.266	2	111.3604	1.167	10	111.3861	1.058	11	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:4:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:C-4:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	O(NC[6])(CH3)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|N<3>,4|H<1>}	O(NC[6])(CH3)	112.2410	0.000	1	112.6060	0.266	2	111.3604	1.167	10	111.3861	1.058	11	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:4:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:C-4:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CC)(C[6]N[6]HH)(NO)	O(NC[6])(CH3)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CC)(C[6]N[6]HH)(NO){1|C<3>,1|C<4>,2|H<1>}	O(NC[6])(CH3)	109.3300	0.000	1	109.3300	0.000	1	111.3604	1.167	10	111.3861	1.058	11	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:4:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:C-4:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	O(NC[6])(CCHH)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	O(NC[6])(CCHH)	109.9750	0.000	1	109.9750	0.000	1	111.3604	1.167	10	111.3861	1.058	11	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:4:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:C-4:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(NO)	O(NC[6])(CH3)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(NO){1|N<3>,4|H<1>}	O(NC[6])(CH3)	110.8900	0.000	1	110.8900	0.000	1	111.3604	1.167	10	111.3861	1.058	11	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:4:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:C-4:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]HH)2(NO)	O(NC[6])(CCHH)	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]HH)2(NO){1|C<4>,4|H<1>}	O(NC[6])(CCHH)	111.7120	0.000	1	111.7120	0.000	1	111.3604	1.167	10	111.3861	1.058	11	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	2:4:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	N-2:Si-4:	N(C[6]C[6]2)(OSi)	C[6](C[6]C[6]HH)2(NO)	O(NC[6])(SiO3)	N(C[6]C[6]2)(OSi)	C[6](C[6]C[6]HH)2(NO){1|C<4>,4|H<1>}	O(NC[6])(SiO3)	111.6430	0.000	1	111.6430	0.000	1	111.6430	0.000	1	111.3861	1.058	11	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	3:2:	C[6]-3:O-2:	C[5,6]-4:C[6]-4:N-2:	C-3:N-2:	N(C[6]C[5,6]C[6])(OC)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(NO)	O(CC[6a]O)(NC[6])	N(C[6]C[5,6]C[6])(OC)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(NO){2|C<4>,4|H<1>}	O(CC[6a]O)(NC[6])	108.8780	0.000	1	108.8780	0.000	1	108.6449	0.264	7	109.0623	0.499	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	3:2:	C[6]-3:O-2:	C[5,6]-4:C[6]-4:N-2:	C-3:N-2:	N(C[6]C[5,6]C[6])(OC)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO)	O(CC[6a]O)(NC[6])	N(C[6]C[5,6]C[6])(OC)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	O(CC[6a]O)(NC[6])	108.6060	0.551	6	108.6060	0.304	6	108.6449	0.264	7	109.0623	0.499	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	3:2:	C[6]-3:O-2:	C[5,6]-4:C[6]-4:N-2:	C[6a]-3:N-2:	N(C[6]C[5,6]C[6])(OC[6a])	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO)	O(C[6a]C[6a]2)(NC[6])	N(C[6]C[5,6]C[6])(OC[6a])	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(NC[6])	110.0880	0.516	2	110.0880	0.266	2	110.0880	0.266	2	109.0623	0.499	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	3:2:	C[6]-3:O-2:	C[6,6]-4:C[6]-4:N-2:	C-3:N-2:	N(C[6]C[6,6]C[6])(OC)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(NO)	O(CC[6a]O)(NC[6])	N(C[6]C[6,6]C[6])(OC)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(NO){1|O<2>,2|H<1>,5|C<4>}	O(CC[6a]O)(NC[6])	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	109.0623	0.499	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	3:2:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	C-3:N-2:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	O(CC[6a]O)(NC[6])	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]O)(NC[6])	108.7502	0.633	4	108.7502	0.401	4	108.7502	0.401	4	109.0623	0.499	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	3:2:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(OC[6a])	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO)	O(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(OC[6a])	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NO){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(NC[6])	109.3420	0.000	1	109.3420	0.000	1	109.5670	0.041	3	109.0623	0.499	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	3:2:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	C[6a]-3:N-2:	N(C[6]C[6]2)(OC[6a])	C[6](C[6]C[6]HH)2(NO)	O(C[6a]C[6a]2)(NC[6])	N(C[6]C[6]2)(OC[6a])	C[6](C[6]C[6]HH)2(NO){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(NC[6])	109.6795	0.080	2	109.6795	0.006	2	109.5670	0.041	3	109.0623	0.499	17	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	4:2:	C[6]-3:O-2:	C[5,6]-4:C[6]-4:N-2:	C-4:N-2:	N(C[6]C[5,6]C[6])(OC)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO)	O(CC[6a]HH)(NC[6])	N(C[6]C[5,6]C[6])(OC)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	O(CC[6a]HH)(NC[6])	111.7955	0.489	2	111.7955	0.239	2	111.7955	0.239	2	111.1762	0.719	8	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	4:2:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	C-4:N-2:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO)	O(CC[6a]HH)(NC[6])	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NO){1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]HH)(NC[6])	111.3757	0.755	4	111.3757	0.570	4	110.9698	0.754	6	111.1762	0.719	8	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	4:2:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	C-4:N-2:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CH)2(NO)	O(CC[6a]HH)(NC[6])	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]CH)2(NO){1|N<3>,2|C<3>,2|H<1>}	O(CC[6a]HH)(NC[6])	109.9560	0.000	1	109.9560	0.000	1	110.9698	0.754	6	111.1762	0.719	8	111.6698	4.793	152	111.6324	4.758	156
941	762	893	0:SP2_SP2_SP2	N	C[6]	O	3:2:	4:4:2:	4:2:	C[6]-3:O-2:	C[6]-4:C[6]-4:N-2:	C-4:N-2:	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]HH)2(NO)	O(CC[6a]HH)(NC[6])	N(C[6]C[6]2)(OC)	C[6](C[6]C[6]HH)2(NO){1|N<3>,4|H<1>}	O(CC[6a]HH)(NC[6])	110.3600	0.000	1	110.3600	0.000	1	110.9698	0.754	6	111.1762	0.719	8	111.6698	4.793	152	111.6324	4.758	156