519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5,5a]	3:2:	3:2:	3:3:2:	N[5,5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5,5a]-3:N[5a]-2:	N[5a](N[5,5a]C[5,5a]C[5,6a])(O[5a]C[5a])	O[5a](C[5a]C[5,5a]O)(N[5a]N[5,5a])	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a])	N[5a](N[5,5a]C[5,5a]C[5,6a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5,5a]O)(N[5a]N[5,5a]){1|C<3>,1|C<4>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	101.8665	0.257	2	101.8665	0.066	2	101.8665	0.066	2	101.8665	0.066	2	101.8665	0.066	2	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a,6a]	3:2:	3:2:	3:3:2:	N[5a,6a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a])	O[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	O[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a]){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	103.3800	0.000	1	103.3800	0.000	1	103.3800	0.000	1	103.3800	0.000	1	103.3800	0.000	1	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	2:2:3:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[5]-3:	N[5a](N[5a]N[5a]C[5])(O[5a]C[5a])	O[5a](C[5a]N[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a])(N[5a]O[5a])(C[5]N[5]2)	N[5a](N[5a]N[5a]C[5])(O[5a]C[5a]){1|O<1>,2|N<2>}	O[5a](C[5a]N[5a]O)(N[5a]N[5a]){1|C<3>}	N[5a](N[5a]C[5a])(N[5a]O[5a])(C[5]N[5]2){1|O<1>,2|N<2>}	103.1990	0.000	1	103.1990	0.000	1	103.1990	0.000	1	103.1990	0.000	1	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:2:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	N[5a](N[5a]C[5a]O)(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]O[5a])(OC)	N[5a](N[5a]C[5a]O)(O[5a]C[5a]){1|C<3>,1|O<1>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C)(N[5a]O[5a])(OC){1|O<1>}	104.1600	0.000	1	104.1600	0.000	1	104.1600	0.000	1	103.7287	0.225	3	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:2:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])	O[5a](C[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](N[5a]C[6a]N[5a])(O[5a]C[5a]){1|O<1>,2|C<3>}	O[5a](C[5a]N[5a]O)(N[5a]N[5a]){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	103.5130	0.413	2	103.5130	0.171	2	103.5130	0.171	2	103.7287	0.225	3	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a])	N[5a](N[5a]C[5a]2)(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,2|N<3>,2|O<1>}	104.0590	0.000	1	104.0590	0.000	1	104.0590	0.000	1	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	103.3120	0.000	1	103.4040	0.017	2	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	103.4960	0.000	1	103.4040	0.017	2	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	104.6910	0.361	2	105.1641	0.127	21	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	104.8150	0.000	1	105.1641	0.127	21	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	105.2361	0.320	18	105.1641	0.127	21	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	104.6409	0.589	8	104.6519	0.305	9	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	104.7400	0.000	1	104.6519	0.305	9	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	103.5550	0.000	1	103.7137	0.068	3	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	103.7930	0.314	2	103.7137	0.068	3	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	103.3330	0.000	1	103.6576	0.040	9	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	103.9620	0.000	1	103.6576	0.040	9	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	103.4160	0.000	1	103.6576	0.040	9	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	103.6160	0.000	1	103.6576	0.040	9	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	103.6620	0.000	1	103.6576	0.040	9	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|C<4>}	103.6870	0.000	1	103.6576	0.040	9	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	103.7473	0.135	3	103.6576	0.040	9	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|Pd<4>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|Pd<4>,1|C<3>}	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	102.4660	0.000	1	102.4660	0.000	1	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|Si<4>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|Si<4>,1|C<3>}	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	103.8100	0.000	1	103.6360	0.061	2	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	537	813	5:SP2_SP2_SP2	N[5a]	O[5a]	N[5a]	3:2:	3:2:	3:3:2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|Si<4>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|Si<4>,1|C<3>}	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	103.4620	0.000	1	103.6360	0.061	2	104.4876	0.679	47	104.4787	0.669	48	104.4108	0.685	52	104.2996	0.895	55
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a,6a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5,5a]-3:	N[5,5a]-3:N[5a]-2:S[5]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(S[5]C[5,6])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5]){1|H<1>,2|C<3>,2|C<4>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(S[5]C[5,6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	103.9320	0.051	2	103.9320	0.003	2	103.9320	0.003	2	103.9320	0.003	2	103.1501	0.759	7	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[5,5a]C[5a,6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	101.7240	0.000	1	101.7240	0.000	1	101.7240	0.000	1	102.3680	0.509	3	103.1501	0.759	7	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	103.1350	0.000	1	103.1350	0.000	1	103.1350	0.000	1	102.3680	0.509	3	103.1501	0.759	7	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:	N[5,5a]-3:N[5,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5,5a]N[5,5a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5,5a]N[5,5a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|S<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	102.2450	0.000	1	102.2450	0.000	1	102.2450	0.000	1	102.3680	0.509	3	103.1501	0.759	7	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a,6a]	3:3:	3:4:2:	3:2:3:	C[5a,6a]-3:C[5,5a]-3:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]N[5]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]N[5]H)(N[5a]C[5a,6a]){2|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	103.2520	0.000	1	103.2520	0.000	1	103.5415	0.168	2	103.5415	0.168	2	103.1501	0.759	7	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a,6a]	3:3:	3:4:2:	3:2:3:	C[5a,6a]-3:C[5,5a]-3:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]H)(N[5a]C[5a,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	103.8310	0.000	1	103.8310	0.000	1	103.5415	0.168	2	103.5415	0.168	2	103.1501	0.759	7	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]N[5a]H)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5,5])	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(H)	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5,5]){1|H<1>,1|O<1>,2|C<4>}	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(H){1|C<3>,1|S<2>}	100.9660	0.000	1	100.9660	0.000	1	100.9660	0.000	1	100.9660	0.000	1	104.1126	4.431	18	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-2:O[5]-2:	C[5a]-3:N[5a]-2:Br-1:	N[5a](C[5,5a]N[5,5a]O[5])(C[5a]C[5a]Br)	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(O[5]C[5])	C[5a](C[5a]N[5,5a]C)(N[5a]C[5,5a])(Br)	N[5a](C[5,5a]N[5,5a]O[5])(C[5a]C[5a]Br){1|C<3>,2|C<4>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(O[5]C[5]){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]N[5,5a]C)(N[5a]C[5,5a])(Br){1|C<4>,1|O<2>}	101.6160	0.000	1	101.6160	0.000	1	101.6160	0.000	1	102.0827	0.267	3	104.1126	4.431	18	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5,5a]-3:C[5a]-3:	N[5,5a]-3:S[5]-2:N[5a]-2:	C[5a]-3:N[5a]-2:I-1:	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]I)	C[5,5a](N[5,5a]C[5,6a]C[5a])(S[5]C[5,6a])(N[5a]C[5a])	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(I)	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]I){3|C<3>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(S[5]C[5,6a])(N[5a]C[5a]){1|I<1>,3|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(I){1|S<2>,3|C<3>}	102.3160	0.455	2	102.3160	0.207	2	102.3160	0.207	2	102.0827	0.267	3	104.1126	4.431	18	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(C[5]S[5]N)	C[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a]){1|C<4>,1|S<2>,2|C<3>,2|N<2>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(C[5]S[5]N){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	104.5260	0.000	1	104.5260	0.000	1	104.5260	0.000	1	104.5260	0.000	1	104.1126	4.431	18	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5a]-2:S[5a]-2:Si-4:	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]Si)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(N[5a]C[5a])	C[5a](N[5a]C[5,5a])(S[5a]C[5,5a])(SiC3)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]S[5a]Si){1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	C[5a](N[5a]C[5,5a])(S[5a]C[5,5a])(SiC3){2|C<3>}	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	104.1126	4.431	18	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5,5a]C[6a])(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]H){1|N<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5,5a]C[6a])(N[5a]C[5,5a])(H){4|C<3>}	103.2470	0.000	1	103.2470	0.000	1	103.2470	0.000	1	103.7590	0.230	3	104.1126	4.431	18	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5,5a]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(N[5a]C[5a]){1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a])(H){2|C<3>}	104.0150	0.259	2	104.0150	0.067	2	104.0150	0.067	2	103.7590	0.230	3	104.1126	4.431	18	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5,5a]-3:C[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-2:	N[5]-3:N[5a]-2:S[5a]-2:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]S[5a]N[5])	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5a]C[5a])	C[5a](N[5]C[5]N[5])(N[5a]C[5,5a])(S[5a]C[5,5a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]S[5a]N[5]){1|N<2>,2|C<3>,2|C<4>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5]C[5]N[5])(N[5a]C[5,5a])(S[5a]C[5,5a]){1|H<1>,2|C<4>,3|C<3>}	107.5430	0.000	1	107.5430	0.000	1	107.5430	0.000	1	107.5430	0.000	1	104.1126	4.431	18	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5,5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	104.3240	0.000	1	104.3240	0.000	1	104.3240	0.000	1	104.1921	0.049	7	104.1126	4.431	18	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5,5a]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5]C[5a])(N[5a]C[5a])	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5]C[5a])(N[5a]C[5a]){1|H<1>,2|N<2>,4|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	104.3580	0.000	1	104.3580	0.000	1	104.1702	0.054	6	104.1921	0.049	7	104.1126	4.431	18	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5,5a]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	104.1326	0.239	5	104.1326	0.057	5	104.1702	0.054	6	104.1921	0.049	7	104.1126	4.431	18	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5,5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5,5a]-3:C[5a]-3:	N[5,5a]-3:P[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5,5a]N[5,5a]P[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5,6a]C[5a])(P[5]C[5,6a]CO)(N[5a]C[5a])	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]N[5,5a]P[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(P[5]C[5,6a]CO)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a])(H){1|C<3>,1|P<4>}	103.7410	0.000	1	103.7410	0.000	1	103.7410	0.000	1	103.7410	0.000	1	104.1126	4.431	18	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a,6]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a,6]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]N[5a,6]C[6])	C[5a,5a](C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6])	C[5a,6](N[5a,6]C[5a,5a]C[6])(N[5a]C[5a,5a])(C[6]C[6]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]N[5a,6]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[5a,5a](C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6]){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,5a]C[6])(N[5a]C[5a,5a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	103.5540	0.000	1	103.5540	0.000	1	103.5540	0.000	1	103.5540	0.000	1	103.5540	0.000	1	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[5a]S[5a]C){1|S<1>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	103.8120	0.000	1	103.8120	0.000	1	103.8120	0.000	1	103.8120	0.000	1	103.8535	0.003	2	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	103.8950	0.000	1	103.8950	0.000	1	103.8950	0.000	1	103.8950	0.000	1	103.8535	0.003	2	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H)	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]H){1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|O<1>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(H){2|S<2>}	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	103.5033	16.661	6	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a]-2:S[5a]-2:I-1:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]I)	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(I)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]I){1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|I<1>,1|O<1>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(I){2|S<2>}	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	103.5033	16.661	6	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H){2|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H){1|C<3>,1|S<2>}	100.9250	0.959	2	100.8858	0.317	4	100.8858	0.317	4	103.5033	16.661	6	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H){2|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H){1|C<3>,1|S<2>}	100.9610	0.000	1	100.8858	0.317	4	100.8858	0.317	4	103.5033	16.661	6	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]H){2|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H){1|C<3>,1|S<2>}	100.7320	0.000	1	100.8858	0.317	4	100.8858	0.317	4	103.5033	16.661	6	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CC[6a]CH)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C){2|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CC[6a]CH){1|C<3>,1|S<2>}	101.4280	0.000	1	101.4280	0.000	1	101.4280	0.000	1	101.4280	0.000	1	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](N[5a]C[5a,5a]H)(N[5a]C[5a,5a])(H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|Br<1>,3|H<1>}	C[5a](N[5a]C[5a,5a]H)(N[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	102.7950	0.000	1	102.7950	0.000	1	102.7950	0.000	1	102.7750	0.001	2	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:I-1:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]I)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(I)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]I){3|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]){1|I<1>,3|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(I){1|S<2>,3|C<3>}	102.7550	0.000	1	102.7550	0.000	1	102.7550	0.000	1	102.7750	0.001	2	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6]C[5a])(S[5a]C[5a,6])(N[5a]C[5a])	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|Br<1>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6]C[5a])(S[5a]C[5a,6])(N[5a]C[5a]){1|Br<1>,1|C<3>,2|C<4>}	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	104.1440	0.000	1	104.1440	0.000	1	104.0781	0.144	9	104.0781	0.144	9	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|Br<1>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]){1|Br<1>,3|C<3>}	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	104.0100	0.000	1	104.0100	0.000	1	104.0781	0.144	9	104.0781	0.144	9	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|C<4>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	104.0733	0.599	3	104.0733	0.358	3	104.0781	0.144	9	104.0781	0.144	9	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	103.9207	0.234	3	103.9207	0.055	3	104.0781	0.144	9	104.0781	0.144	9	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:S[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,5a]S)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|S<2>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]){1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]S)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	104.5670	0.000	1	104.5670	0.000	1	104.0781	0.144	9	104.0781	0.144	9	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(CH3)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(CH3){1|C<3>,1|S<2>}	104.7383	0.195	3	104.7383	0.038	3	104.5768	0.130	4	104.5768	0.130	4	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(CH3)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,3|H<1>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(CH3){1|C<3>,1|S<2>}	104.0920	0.000	1	104.0920	0.000	1	104.5768	0.130	4	104.5768	0.130	4	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:Br-1:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Br)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(Br)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Br){1|C<4>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Br<1>,1|N<2>,1|S<2>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(Br){1|C<3>,1|N<3>}	106.5030	0.065	2	106.5030	0.004	2	106.5030	0.004	2	107.2380	0.628	6	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H){1|C<4>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|H<1>,1|N<2>,1|S<2>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(H){1|C<3>,1|N<3>}	107.6055	0.711	4	107.6055	0.505	4	107.6055	0.505	4	107.2380	0.628	6	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(CCC)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C){1|C<4>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(CCC){1|C<3>,1|N<3>}	107.4691	0.224	7	107.4691	0.050	7	107.4691	0.050	7	107.2550	6.171	10	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(CC[6a]O)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C){1|S<2>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(CC[6a]O){1|C<3>,1|S<2>}	109.5260	0.000	1	109.5260	0.000	1	109.5260	0.000	1	107.2550	6.171	10	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a]){1|S<2>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]S[5a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	107.2550	6.171	10	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]N)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(NHH)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){2|N<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(NHH){1|C<3>,1|N<3>}	100.7520	0.000	1	100.7520	0.000	1	100.7520	0.000	1	107.2550	6.171	10	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:Si-4:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(SiC3)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Si){1|C<4>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(SiC3){1|C<3>,1|N<3>}	109.6006	0.271	10	109.6006	0.074	10	109.5497	0.095	11	106.8324	17.429	16	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:Si-4:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Si)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(SiC3)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Si){3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(SiC3){1|C<3>,1|N<3>}	109.0410	0.000	1	109.0410	0.000	1	109.5497	0.095	11	106.8324	17.429	16	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,5a]-3:C[5a]-3:	C[5a,6]-3:N[5a,5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]N[5a]C)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3)	N[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]N[5a]C){1|B<4>,1|C<3>,1|N<3>}	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3){1|B<4>,1|C<3>}	101.0210	0.000	1	101.0210	0.000	1	101.0210	0.000	1	106.8324	17.429	16	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]C)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3){1|C<3>,1|N<3>}	100.8127	0.425	4	100.8127	0.181	4	100.8127	0.181	4	106.8324	17.429	16	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a])	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(H)	N[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]H){4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(H){1|H<1>,3|C<3>}	105.9730	0.000	1	105.9730	0.000	1	105.9730	0.000	1	104.3167	3.578	4	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a,5a]N[5a,5a,6a]C[5a,6a])(C[5a]C[5a,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6a]C[5a,6a]2)(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,5a,6a]C[6a])(N[5a]C[5a,5a])(H)	N[5a](C[5a,5a]N[5a,5a,6a]C[5a,6a])(C[5a]C[5a,6a]H){4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6a]C[5a,6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,5a,6a]C[6a])(N[5a]C[5a,5a])(H){1|H<1>,3|C<3>}	105.3470	0.000	1	105.3470	0.000	1	105.3470	0.000	1	104.3167	3.578	4	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a])	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(H){4|C<3>}	104.2620	0.000	1	104.2620	0.000	1	104.2620	0.000	1	104.3167	3.578	4	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(H){1|C<3>,1|N<3>}	101.6850	0.000	1	101.6850	0.000	1	101.6850	0.000	1	104.3167	3.578	4	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S[5a]){1|N<2>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a]){1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|N<3>,3|C<3>}	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a])	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a]){6|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	105.4620	0.000	1	105.4620	0.000	1	105.4620	0.000	1	104.6843	1.758	4	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|C<4>,2|N<2>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	105.2845	0.189	2	105.2845	0.036	2	105.2845	0.036	2	104.6843	1.758	4	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a]){1|N<3>,3|C<3>}	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	102.7060	0.000	1	102.7060	0.000	1	102.7060	0.000	1	104.6843	1.758	4	105.5923	9.504	63	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6]	3:3:	3:2:4:	3:2:3:	C[5a,6]-3:C[5a,6]-3:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	103.9690	0.000	1	103.9690	0.000	1	103.9690	0.000	1	103.9690	0.000	1	104.1600	0.073	2	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])	C[5a,6](C[5a,6]N[5a,6]C[6])(C[6]C[5a,6]O)(N[5a]C[5a,6])	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6]){1|H<1>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[6]C[5a,6]O)(N[5a]C[5a,6]){1|N<3>,1|O<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>}	104.3510	0.000	1	104.3510	0.000	1	104.3510	0.000	1	104.3510	0.000	1	104.1600	0.073	2	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	105.9130	0.000	1	105.9130	0.000	1	105.9130	0.000	1	105.9130	0.000	1	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:4:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CH)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){2|C<3>,2|H<1>,3|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CH){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	105.4420	0.000	1	105.4420	0.000	1	105.4420	0.000	1	105.4420	0.000	1	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(C[6]C[5,6]HH)	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|Cl<1>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(C[6]C[5,6]HH){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6]){1|C<3>,2|C<4>}	103.5000	0.000	1	103.5000	0.000	1	103.5000	0.000	1	103.5000	0.000	1	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.2700	0.000	1	104.2550	0.000	2	103.7955	0.217	10	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.2400	0.000	1	104.2550	0.000	2	103.7955	0.217	10	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	103.8410	0.000	1	104.1460	0.186	2	103.7955	0.217	10	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	104.4510	0.000	1	104.1460	0.186	2	103.7955	0.217	10	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	103.3367	0.147	4	103.3367	0.022	4	103.7955	0.217	10	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]C)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	103.9030	0.410	2	103.9030	0.168	2	103.7955	0.217	10	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	104.4420	0.000	1	104.8684	0.371	27	104.7323	0.498	31	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	103.6900	0.000	1	104.8684	0.371	27	104.7323	0.498	31	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	104.9947	0.192	3	104.8684	0.371	27	104.7323	0.498	31	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	104.7918	0.672	13	104.8684	0.371	27	104.7323	0.498	31	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.3386	0.139	5	104.8684	0.371	27	104.7323	0.498	31	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	104.2550	0.000	1	104.8684	0.371	27	104.7323	0.498	31	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.7750	0.000	1	104.8684	0.371	27	104.7323	0.498	31	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.6030	0.000	1	104.8684	0.371	27	104.7323	0.498	31	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	104.7130	0.000	1	104.8684	0.371	27	104.7323	0.498	31	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){2|C<3>,2|C<4>,2|N<2>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C){1|C<4>,2|C<3>}	104.3925	0.179	2	104.3925	0.032	2	104.7323	0.498	31	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N){1|C<4>,2|C<3>}	103.2340	0.132	2	103.2340	0.017	2	104.7323	0.498	31	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	N[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	104.1640	0.000	1	104.1640	0.000	1	104.1640	0.000	1	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	N[5,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5,6])	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5,6]){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	103.6640	0.000	1	103.6640	0.000	1	103.6640	0.000	1	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6]){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a]){2|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	105.0560	0.000	1	105.0560	0.000	1	105.0560	0.000	1	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.7550	0.000	1	104.7550	0.000	1	104.7550	0.000	1	104.4954	0.561	45	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6]){1|H<1>,4|C<3>}	104.5400	0.000	1	104.5400	0.000	1	104.5400	0.000	1	104.5400	0.000	1	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a,6a]	3:3:	3:4:2:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.0750	0.003	2	105.0750	0.000	2	105.0750	0.000	2	105.0750	0.000	2	104.5459	0.583	51	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[5a](N[5a]C[5a,6])2(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6])2(H){1|C<3>,1|N<2>}	102.6401	0.281	8	102.6401	0.079	8	102.6401	0.079	8	102.2168	1.095	12	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]N[6])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]N[6]){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<3>,1|N<2>}	102.7030	0.000	1	102.7030	0.000	1	101.3703	2.396	4	102.2168	1.095	12	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6,6])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<2>}	101.6640	0.000	1	101.6640	0.000	1	101.3703	2.396	4	102.2168	1.095	12	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<2>,1|N<2>}	99.1421	0.000	1	100.5571	4.004	2	101.3703	2.396	4	102.2168	1.095	12	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<2>}	101.9720	0.000	1	100.5571	4.004	2	101.3703	2.396	4	102.2168	1.095	12	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[6a]S[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[6a]S[5a]){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.7967	0.625	3	108.7967	0.391	3	108.7967	0.391	3	108.7967	0.391	3	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[5a](N[5a]C[5a,6]Cu)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){1|Cu<4>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|Cu<4>,1|N<3>,1|S<3>,2|H<1>}	C[5a](N[5a]C[5a,6]Cu)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	103.5320	0.000	1	103.5320	0.000	1	106.2520	4.445	5	106.2520	4.445	5	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|N<3>,1|S<1>,3|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	105.5770	0.065	2	106.7367	4.037	3	106.2520	4.445	5	106.2520	4.445	5	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){2|H<1>,3|N<3>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	109.0560	0.000	1	106.7367	4.037	3	106.2520	4.445	5	106.2520	4.445	5	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[5a](N[5a]C[5a,6]Ru)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){1|Ru<9>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|Ru<9>,1|H<1>,1|S<2>,2|N<3>}	C[5a](N[5a]C[5a,6]Ru)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	107.5180	0.000	1	107.5180	0.000	1	106.2520	4.445	5	106.2520	4.445	5	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6])	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(CCHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|H<1>,2|C<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(CCHH){2|C<2>}	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	C[5a](N[5a]C[5a,6])2(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|O<1>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a,6])2(H){1|C<3>,1|N<2>}	103.2826	0.894	8	103.2826	0.799	8	103.2826	0.799	8	102.8802	1.034	11	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<3>}	101.8240	0.000	1	101.8070	0.000	3	101.8070	0.000	3	102.8802	1.034	11	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<3>,1|N<3>}	101.7940	0.000	1	101.8070	0.000	3	101.8070	0.000	3	102.8802	1.034	11	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|H<1>,2|C<4>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<3>}	101.8030	0.000	1	101.8070	0.000	3	101.8070	0.000	3	102.8802	1.034	11	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:2:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-2:N[5a]-2:S-2:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S)	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]C[6]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]C[6]H){1|S<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC){1|C<3>,1|N<3>}	101.8070	0.000	1	101.8070	0.000	1	101.9086	0.097	5	101.9086	0.097	5	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:2:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-2:N[5a]-2:S-2:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC){1|C<4>,1|N<3>}	101.8040	0.295	3	101.9340	0.125	4	101.9086	0.097	5	101.9086	0.097	5	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:2:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-2:N[5a]-2:S-2:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]S){1|H<1>,2|C<4>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,2|C<4>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC){1|C<4>,1|N<3>}	102.3240	0.000	1	101.9340	0.125	4	101.9086	0.097	5	101.9086	0.097	5	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]O[5a]N)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(N[6]C[6]O)	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(NCC)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]O[5a]N){1|O<1>,2|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(N[6]C[6]O){1|C<3>,1|N<3>,2|C<4>}	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(NCC){1|C<3>,1|N<3>}	102.3140	0.000	1	102.3140	0.000	1	102.3140	0.000	1	102.3670	0.003	3	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:3:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	102.3935	0.049	2	102.3935	0.002	2	102.3935	0.002	2	102.3670	0.003	3	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]H)	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(CC[6a]CN)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(CC[6a]CN){2|C<3>}	104.6450	0.000	1	104.6450	0.000	1	104.6450	0.000	1	108.7003	12.364	3	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-2:S[5a]-2:Si-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Si)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O)	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(SiC3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Si){1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O){1|Si<4>,1|C<3>,1|O<1>,1|S<2>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(SiC3){2|C<3>}	110.7280	0.242	2	110.7280	0.058	2	110.7280	0.058	2	108.7003	12.364	3	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]N[5a,6]H)	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]N[5a,6]H){1|C<4>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(N[5a]C[5a])(C[6]N[6]N){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6])(H){1|N<3>,2|C<3>,2|H<1>}	104.0960	0.000	1	104.0960	0.000	1	104.0960	0.000	1	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]C[6]H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<3>}	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Br)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(Br)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Br){1|H<1>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Br<1>,1|Ir<6>,1|C<3>,1|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(Br){1|C<3>,1|N<3>}	102.5100	0.000	1	102.5100	0.000	1	102.5100	0.000	1	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C){1|C<3>,2|H<1>,2|O<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<3>}	103.1670	0.000	1	103.1670	0.000	1	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<3>}	103.9470	0.000	1	103.7865	0.052	2	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<3>}	103.6260	0.000	1	103.7865	0.052	2	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	104.0290	0.000	1	104.0290	0.000	1	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C)	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<2>,3|C<3>}	104.0440	0.000	1	104.9250	1.552	2	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C)	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<3>,3|C<3>}	105.8060	0.000	1	104.9250	1.552	2	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	103.5992	0.541	11	103.5701	0.377	22	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	103.6667	0.249	3	103.5701	0.377	22	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Cd<6>,1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	102.2695	0.514	2	103.5701	0.377	22	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Co<5>,1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	103.3100	0.000	1	103.5701	0.377	22	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	103.9517	0.081	3	103.5701	0.377	22	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	103.9790	0.000	1	103.5701	0.377	22	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Rh<6>,1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	104.2690	0.000	1	103.5701	0.377	22	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]Co)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|Co<6>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){2|Co<6>,1|C<3>,1|H<1>}	C[5a](N[5a]C[5a,6]Co)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	101.9260	0.000	1	101.9260	0.000	1	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	99.9312	0.000	1	103.2952	0.740	33	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	103.3991	0.643	30	103.2952	0.740	33	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Ru<6>,1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	103.3760	0.000	1	103.2952	0.740	33	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	103.4610	0.000	1	103.2952	0.740	33	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a](N[5a]C[5a,6]Pt)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|Pt<4>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pt<4>,1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6]Pt)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	106.9080	0.000	1	106.9080	0.000	1	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	103.8330	0.130	2	103.8330	0.017	2	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]S)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>,1|S<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]S){1|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	104.3575	0.303	2	104.3575	0.092	2	103.5391	0.835	67	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Cl)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C)	C[5a](N[5a]C[5a,6]Ir)(N[5a]C[5a,6])(Cl)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Cl){1|Ir<6>,1|C<4>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C){1|Cl<1>,1|Ir<6>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a]C[5a,6]Ir)(N[5a]C[5a,6])(Cl){1|C<3>,1|N<3>}	97.7809	0.000	1	97.7809	0.000	1	97.7809	0.000	1	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C){1|Rh<6>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	102.4520	0.000	1	102.4520	0.000	1	103.0987	1.290	23	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C)	C[5a](N[5a]C[5a,6]Sn)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){1|Sn<6>,1|C<4>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C){1|Sn<6>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6]Sn)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	101.5680	0.000	1	101.5680	0.000	1	103.0987	1.290	23	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	103.2630	0.000	1	103.2630	0.000	1	103.0987	1.290	23	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|N<2>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	103.2234	1.280	16	103.1994	1.337	20	103.0987	1.290	23	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|N<2>,2|H<1>,2|N<3>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	103.1550	0.000	1	103.1994	1.337	20	103.0987	1.290	23	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|O<1>,2|H<1>,2|N<3>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	103.4240	0.291	2	103.1994	1.337	20	103.0987	1.290	23	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	102.4110	0.000	1	103.1994	1.337	20	103.0987	1.290	23	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a]-3:N[5a]-2:I-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]I)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C)	C[5a](N[5a]C[5a,6]Ir)(N[5a]C[5a,6])(I)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]I){1|Ir<6>,1|C<4>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C){1|Ir<6>,1|I<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a]C[5a,6]Ir)(N[5a]C[5a,6])(I){1|C<3>,1|N<3>}	101.4955	0.078	2	101.4955	0.006	2	101.4955	0.006	2	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H){2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){1|C<4>,1|N<3>}	104.2010	0.386	2	104.2010	0.149	2	104.2010	0.149	2	103.4040	1.697	98	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S[5a]){1|O<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6]){1|H<1>,4|C<3>}	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a,6]-3:C[5a]-3:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[5a,5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.4125	0.093	2	106.4125	0.009	2	106.4125	0.009	2	106.4125	0.009	2	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CClHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CClHH){2|C<3>}	103.8400	0.000	1	103.8400	0.000	1	103.9953	0.046	3	104.5995	1.491	4	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CHHO)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CHHO){2|C<3>}	104.0730	0.236	2	104.0730	0.056	2	103.9953	0.046	3	104.5995	1.491	4	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]N[6]H)	C[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]N[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CH3){2|C<3>}	106.4120	0.000	1	106.4120	0.000	1	106.4120	0.000	1	104.5995	1.491	4	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]N[5a]C[6])(N[6]C[6,6]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(N[6]C[6,6]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<3>}	101.1010	0.000	1	101.1010	0.000	1	101.1010	0.000	1	101.1010	0.000	1	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(NC)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]S[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(NC){1|C<3>,1|C<4>}	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[6a]S[5a])	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5,6]C[5,6]N[5])(N[5a]C[5a])	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[6a]S[5a]){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5,6]C[5,6]N[5])(N[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.6350	0.000	1	107.6350	0.000	1	107.6350	0.000	1	106.5764	17.493	7	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[6a]S[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]S[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[6a]S[5a]){1|S<2>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]S[6])(N[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	106.5764	17.493	7	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(NHH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(NHH){1|C<3>,1|C<4>}	110.0435	0.465	2	110.0435	0.216	2	110.0435	0.216	2	106.5764	17.493	7	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	102.2773	0.198	3	102.2773	0.039	3	102.2773	0.039	3	106.5764	17.493	7	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6]-4:	N[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]C[6])	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6]C[6]2H)	N[5a](C[5a,6]C[5a,6]2)(C[5a]S[5a]C[6]){1|H<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6]C[6]2H){1|C<3>,3|C<4>,4|H<1>}	110.8100	0.000	1	110.8100	0.000	1	110.8100	0.000	1	106.9420	29.923	2	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]C)	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(CH3)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]C){1|H<1>,2|C<4>}	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(CH3){1|C<4>,1|N<3>}	103.0740	0.000	1	103.0740	0.000	1	103.0740	0.000	1	106.9420	29.923	2	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	103.2680	0.000	1	103.2680	0.000	1	103.2680	0.000	1	103.7162	0.733	22	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]N[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]N[6])(N[5a]C[5a]){1|Rh<8>,1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	103.4810	0.000	1	103.4810	0.000	1	103.4810	0.000	1	103.7162	0.733	22	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]Cl)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]Cl)(N[5a]C[5a,6])(Cl)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]Cl)(N[5a]C[5a,6])(Cl){1|C<3>,1|C<4>}	105.1100	0.000	1	105.1100	0.000	1	105.1100	0.000	1	103.7162	0.733	22	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[6]C[6]Pt)(N[5a]C[5a])	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H){1|Pt<4>,1|C<4>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[6]C[6]Pt)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	103.7320	0.000	1	103.7320	0.000	1	103.7320	0.000	1	103.7162	0.733	22	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){2|C<3>}	104.7930	0.000	1	104.7930	0.000	1	105.2573	0.285	3	103.7162	0.733	22	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	105.4895	0.496	2	105.4895	0.246	2	105.2573	0.285	3	103.7162	0.733	22	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]N[5,6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[5,6])(C[5a]C[5a]H){4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<2>,1|N<3>,2|C<3>}	101.9490	0.000	1	101.9490	0.000	1	101.9490	0.000	1	103.7162	0.733	22	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5,6]C[5a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[5a])(N[5a,6]C[5,6]C[5a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	104.1900	0.000	1	104.1900	0.000	1	103.4603	0.112	14	103.7162	0.733	22	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a])	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H){4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<2>,1|N<3>,2|C<3>}	103.3680	0.144	3	103.3680	0.021	3	103.4603	0.112	14	103.7162	0.733	22	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	103.3636	0.351	7	103.4150	0.093	10	103.4603	0.112	14	103.7162	0.733	22	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[5a])2(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	103.5350	0.130	3	103.4150	0.093	10	103.4603	0.112	14	103.7162	0.733	22	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]S[5a])	C[5a,6](C[5a,6]S[5a]N[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6])(S[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]S[5a]){1|N<2>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6]S[5a]N[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6])(S[5a]C[5a,6]){1|H<1>,1|N<3>,3|C<3>}	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a]){1|H<1>,7|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	105.5520	0.090	3	105.5520	0.008	3	105.2823	0.079	8	105.2823	0.079	8	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	105.0820	0.117	3	105.1204	0.047	5	105.2823	0.079	8	105.2823	0.079	8	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	104.9060	0.000	1	105.1204	0.047	5	105.2823	0.079	8	105.2823	0.079	8	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a]){6|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.4500	0.000	1	105.1204	0.047	5	105.2823	0.079	8	105.2823	0.079	8	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(CH3){2|C<3>}	104.5150	0.115	3	104.5150	0.013	3	104.5150	0.013	3	104.5433	0.012	4	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]C[6])(N[6]C[5a,6]C)(N[5a]C[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[6]C[5a,6]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3){1|C<3>,1|N<3>}	104.6280	0.000	1	104.6280	0.000	1	104.6280	0.000	1	104.5433	0.012	4	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	N[5a]-3:C[6]-3:N[5a]-2:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6]Fe)(C[6]C[6]N[6])(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6]){1|Fe<6>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|Fe<6>,1|O<1>,3|C<3>}	C[5a](N[5a]C[5a,6]Fe)(C[6]C[6]N[6])(N[5a]C[5a,6]){1|H<1>,4|C<3>}	102.4374	0.193	5	102.4374	0.037	5	102.4374	0.037	5	102.4374	0.037	5	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	2:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a]-2:O[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]O[6]HH)(N[5a]C[5a])	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]O[6]HH)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	103.9570	0.000	1	103.9570	0.000	1	103.9570	0.000	1	103.9570	0.000	1	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	2:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]S[5a]C)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(CC[6a]O)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]S[5a]C){1|C<3>,1|C<4>,2|O<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(N[5a]C[5a]){1|S<2>,2|C<3>,2|C<4>,2|O<2>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(CC[6a]O){1|C<3>,1|C<4>}	109.9912	0.218	4	109.9912	0.048	4	109.9912	0.048	4	110.2893	0.176	7	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	2:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])	C[5a,6](C[5a,6]C[6,6]S[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]S[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	110.6867	0.207	3	110.6867	0.043	3	110.6867	0.043	3	110.2893	0.176	7	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	2:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)	C[5a,6](C[5a,6]C[5,6]S[5a])(C[6]C[5]C[6]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C){1|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5,6]S[5a])(C[6]C[5]C[6]H)(N[5a]C[5a]){3|C<3>,3|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(CH3){2|C<4>}	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a])	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	104.7660	0.000	1	104.4080	0.256	2	104.6016	0.397	9	104.8383	0.508	13	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a])	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	104.0500	0.000	1	104.4080	0.256	2	104.6016	0.397	9	104.8383	0.508	13	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	104.3135	0.166	2	104.3135	0.028	2	104.6016	0.397	9	104.8383	0.508	13	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]C[5a])	C[5a](N[5a]C[5a,6]S)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|S<4>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]C[5a]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6]S)(N[5a]C[5a,6])(H){2|C<4>}	105.2860	0.169	3	105.2860	0.029	3	104.6016	0.397	9	104.8383	0.508	13	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){2|H<1>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	104.6030	0.000	1	104.6030	0.000	1	104.6016	0.397	9	104.8383	0.508	13	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a]){1|C<4>,2|C<3>,6|H<1>}	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	103.5100	0.000	1	103.5100	0.000	1	104.6016	0.397	9	104.8383	0.508	13	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[3,6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]C[3,6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[3,6])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H){1|C<4>,3|C<3>}	104.7340	0.000	1	104.7340	0.000	1	104.7340	0.000	1	104.8383	0.508	13	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CO)(N[5a]C[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|C<4>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CO)(N[5a]C[5a]){2|C<4>,2|F<1>,3|H<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	106.2850	0.000	1	106.2850	0.000	1	105.5833	0.369	3	104.8383	0.508	13	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,6|H<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	105.2210	0.000	1	105.2210	0.000	1	105.5833	0.369	3	104.8383	0.508	13	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[5a,6]HO)(N[5a]C[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[5a,6]HO)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	105.2440	0.000	1	105.2440	0.000	1	105.5833	0.369	3	104.8383	0.508	13	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]S[5a])	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]S[5a]){1|C<4>,1|S<2>,2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]O[5]2)(N[5a]C[5a]){1|S<2>,2|C<3>,2|C<4>,2|O<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6])(S[5a]C[5a,6]){1|C<4>,1|H<1>,3|C<3>}	110.1038	0.176	4	110.1038	0.031	4	110.1038	0.031	4	109.0618	5.451	5	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(NP)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(NP){1|C<3>,1|C<4>}	104.8940	0.000	1	104.8940	0.000	1	104.8940	0.000	1	109.0618	5.451	5	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[3,6]-4:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]C[3,6])(C[5a]C[5a]H)	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]Br)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[3,6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<4>}	C[5a,6](C[3,6]C[3,6]C[3]H)(N[5a,6]C[5a]N[6])(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]Br)(N[5a]C[5a,6])(H){1|C<4>,1|N<2>}	105.7690	0.363	2	105.7690	0.132	2	105.7690	0.132	2	104.8092	0.511	9	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H){1|C<3>,4|C<4>}	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]C[6])(N[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	104.1460	0.000	1	104.1460	0.000	1	104.0413	0.037	3	104.8092	0.511	9	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H){1|C<3>,1|H<1>,3|C<4>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	103.9890	0.239	2	103.9890	0.057	2	104.0413	0.037	3	104.8092	0.511	9	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)	C[5a,6](C[5,6]C[5,5]C[5,6]H)(N[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5,6]C[5,5]C[5,6]H)(N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H){1|C<4>,3|C<3>}	104.9420	0.204	2	104.9420	0.041	2	104.9052	0.079	4	104.8092	0.511	9	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)	C[5a,6](C[5,6]C[5,6]O[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|C<4>}	C[5a,6](C[5,6]C[5,6]O[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|F<1>,3|H<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	105.1770	0.000	1	105.1770	0.000	1	104.9052	0.079	4	104.8092	0.511	9	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)	C[5a,6](C[5,6]N[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5,6]N[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	104.5600	0.000	1	104.5600	0.000	1	104.9052	0.079	4	104.8092	0.511	9	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6]	C[5a]	3:3:	4:3:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C[6a])	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C[6a]){3|C<3>,4|C<4>}	C[5a,6](C[5,6]C[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,3|C<4>,5|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	105.6705	0.023	2	105.6705	0.001	2	105.6705	0.001	2	105.6705	0.001	2	104.3370	5.905	237	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5,5a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5,5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5,5]){1|O<1>,2|C<3>,2|C<4>}	103.9177	0.169	3	103.9177	0.029	3	103.3691	0.282	7	103.3691	0.282	7	103.2701	0.557	21	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5,5a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5]){2|H<1>,3|C<3>}	102.8525	0.078	2	102.9578	0.019	4	103.3691	0.282	7	103.3691	0.282	7	103.2701	0.557	21	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5,5a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5]){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(S[5]C[5]){2|C<3>,4|H<1>}	103.0630	0.083	2	102.9578	0.019	4	103.3691	0.282	7	103.3691	0.282	7	103.2701	0.557	21	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5,5a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5,5a]-3:N[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a])(C[5]C[5,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5]){1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a])(C[5]C[5,6a]O){4|C<3>}	103.3060	0.000	1	103.3060	0.000	1	103.3060	0.000	1	102.0323	1.405	3	103.2701	0.557	21	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5,5a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	100.9610	0.000	1	101.3955	0.378	2	101.3955	0.378	2	102.0323	1.405	3	103.2701	0.557	21	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5,5a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){3|C<3>,3|H<1>}	101.8300	0.000	1	101.3955	0.378	2	101.3955	0.378	2	102.0323	1.405	3	103.2701	0.557	21	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5,5a]	3:3:	3:2:3:	3:2:4:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5,5a]-3:N[5a]-2:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]C[5]CH){2|C<3>,4|H<1>}	103.1730	0.000	1	103.1730	0.000	1	103.6109	0.106	9	103.6109	0.106	9	103.2701	0.557	21	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5,5a]	3:3:	3:2:3:	3:2:4:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5,5a]-3:N[5a]-2:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5]){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[5]S[5]HH){1|H<1>,3|C<3>}	103.6656	0.301	8	103.6656	0.091	8	103.6109	0.106	9	103.6109	0.106	9	103.2701	0.557	21	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5,5a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5,5a]-3:N[5]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5]C[6a]S[5])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5]C[6a]S[5])(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	103.4440	0.000	1	103.4440	0.000	1	103.4440	0.000	1	103.4440	0.000	1	103.2701	0.557	21	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5,5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5,5a]-3:C[5,6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5,5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5,5a])	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5,5a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5,5a]){1|C<4>,1|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	103.0490	0.000	1	103.0490	0.000	1	103.0490	0.000	1	103.0490	0.000	1	103.2701	0.557	21	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	102.5795	0.059	2	103.0706	0.166	10	103.0706	0.166	10	103.0706	0.166	10	102.8994	0.443	16	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a]){1|H<1>,3|C<3>}	103.1072	0.435	5	103.0706	0.166	10	103.0706	0.166	10	103.0706	0.166	10	102.8994	0.443	16	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a]){1|O<1>,3|C<3>}	103.3370	0.125	3	103.0706	0.166	10	103.0706	0.166	10	103.0706	0.166	10	102.8994	0.443	16	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:2:3:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:N[5a]-3:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]C)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	101.6420	0.000	1	101.6420	0.000	1	102.3510	1.005	2	102.3510	1.005	2	102.8994	0.443	16	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:2:3:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:N[5a]-3:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(N[5a]C[5a]H){1|O<1>,3|C<3>}	103.0600	0.000	1	103.0600	0.000	1	102.3510	1.005	2	102.3510	1.005	2	102.8994	0.443	16	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:2:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a,6a])	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a,6a]){1|C<4>,4|C<3>}	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1	102.8930	1.450	3	102.8994	0.443	16	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:2:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a]){5|C<3>}	101.6530	0.000	1	101.6530	0.000	1	101.6530	0.000	1	102.8930	1.450	3	102.8994	0.443	16	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:2:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6a]){1|H<1>,5|C<3>}	104.0580	0.000	1	104.0580	0.000	1	104.0580	0.000	1	102.8930	1.450	3	102.8994	0.443	16	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,5a]-3:C[5a,6]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,5a]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a])	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,5a]C[5a,6]){1|B<4>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]){1|B<4>,1|H<1>,5|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6a]){1|H<1>,2|F<1>,4|C<3>}	102.3040	0.000	1	102.3040	0.000	1	102.3040	0.000	1	102.3040	0.000	1	102.8994	0.443	16	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]){1|N<2>,2|C<3>,2|N<3>}	104.1170	0.000	1	104.1170	0.000	1	104.1170	0.000	1	104.9644	1.665	12	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a]){1|N<2>,4|C<3>}	103.8610	0.000	1	104.4855	0.780	2	104.6468	0.142	9	104.9644	1.665	12	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6,6a]){1|O<1>,4|C<3>}	105.1100	0.000	1	104.4855	0.780	2	104.6468	0.142	9	104.9644	1.665	12	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){2|H<1>,4|C<3>}	104.7857	0.171	3	104.6929	0.048	7	104.6468	0.142	9	104.9644	1.665	12	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	104.9880	0.000	1	104.6929	0.048	7	104.6468	0.142	9	104.9644	1.665	12	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	104.5340	0.021	2	104.6929	0.048	7	104.6468	0.142	9	104.9644	1.665	12	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]S[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(S[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	104.4370	0.000	1	104.6929	0.048	7	104.6468	0.142	9	104.9644	1.665	12	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]N[5a,6a]C[5,6])(N[5a]C[5a,6a])(O[6]B[6])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6]){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a,6a]C[5,6])(N[5a]C[5a,6a])(O[6]B[6]){1|N<3>,2|F<1>,3|C<3>}	106.8175	2.948	2	106.8175	8.690	2	106.8175	8.690	2	104.9644	1.665	12	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	104.4380	0.000	1	104.4380	0.000	1	104.4380	0.000	1	103.9536	0.166	7	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H){1|C<4>,5|C<3>}	104.0223	0.405	3	104.0223	0.164	3	103.8728	0.145	6	103.9536	0.166	7	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	104.0800	0.000	1	103.7233	0.130	3	103.8728	0.145	6	103.9536	0.166	7	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	103.5450	0.264	2	103.7233	0.130	3	103.8728	0.145	6	103.9536	0.166	7	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[5,6]HH){1|N<3>,5|C<3>}	105.0510	0.000	1	105.0510	0.000	1	104.7996	0.107	5	104.7996	0.107	5	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|H<1>,2|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	104.7310	0.000	1	104.7310	0.000	1	104.7996	0.107	5	104.7996	0.107	5	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>}	104.8930	0.000	1	104.8930	0.000	1	104.7996	0.107	5	104.7996	0.107	5	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]S[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]S[6]HH){4|C<3>}	105.0570	0.000	1	105.0570	0.000	1	104.7996	0.107	5	104.7996	0.107	5	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	104.2660	0.000	1	104.2660	0.000	1	104.7996	0.107	5	104.7996	0.107	5	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:O[6]-2:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]O[6])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(O[6]C[6,6a])	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]O[6]){1|C<4>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(O[6]C[6,6a]){2|H<1>,4|C<3>}	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6]){1|C<4>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C){2|H<1>,3|C<3>}	104.1860	0.000	1	104.1860	0.000	1	104.2465	0.007	2	104.2465	0.007	2	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){2|H<1>,3|C<3>}	104.3070	0.000	1	104.3070	0.000	1	104.2465	0.007	2	104.2465	0.007	2	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a,6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a,6]){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	104.6960	0.000	1	104.6960	0.000	1	104.4410	0.130	2	104.4410	0.130	2	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a,6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]O[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a,6]){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	104.1860	0.000	1	104.1860	0.000	1	104.4410	0.130	2	104.4410	0.130	2	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6]){1|H<1>,6|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	104.6480	0.000	1	104.6480	0.000	1	104.2578	0.256	4	104.2578	0.256	4	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6]){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|H<1>,6|C<3>}	103.9635	0.634	2	104.1277	0.282	3	104.2578	0.256	4	104.2578	0.256	4	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a,6]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6]){1|H<1>,6|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	104.4560	0.000	1	104.1277	0.282	3	104.2578	0.256	4	104.2578	0.256	4	104.5638	0.819	33	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	104.5440	0.000	1	104.5440	0.000	1	104.5440	0.000	1	104.5440	0.000	1	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a]){1|H<1>,4|C<3>}	103.2760	0.000	1	102.9600	0.200	2	102.9043	0.109	3	104.1932	0.861	12	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a]){5|C<3>}	102.6440	0.000	1	102.9600	0.200	2	102.9043	0.109	3	104.1932	0.861	12	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a]){5|C<3>}	102.7930	0.000	1	102.7930	0.000	1	102.9043	0.109	3	104.1932	0.861	12	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a]){5|C<3>}	104.6367	0.299	3	104.6367	0.089	3	104.6367	0.089	3	104.1932	0.861	12	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(N[6a]C[6a]){1|H<1>,4|C<3>}	104.6220	0.000	1	104.6220	0.000	1	104.6500	0.010	3	104.1932	0.861	12	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a]){1|C<4>,4|C<3>}	104.7620	0.000	1	104.6640	0.019	2	104.6500	0.010	3	104.1932	0.861	12	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a]){5|C<3>}	104.5660	0.000	1	104.6640	0.019	2	104.6500	0.010	3	104.1932	0.861	12	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]S[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]S[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a]){1|O<1>,4|C<3>}	104.5650	0.000	1	104.5650	0.000	1	105.1260	0.629	2	104.1932	0.861	12	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]S[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]S[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>}	105.6870	0.000	1	105.6870	0.000	1	105.1260	0.629	2	104.1932	0.861	12	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a]){1|O<1>,4|C<3>}	103.4940	0.000	1	103.4940	0.000	1	103.4940	0.000	1	104.1932	0.861	12	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.5530	0.000	1	108.5530	0.000	1	108.6437	0.068	3	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	108.6890	0.351	2	108.6890	0.123	2	108.6437	0.068	3	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	105.3304	0.246	5	105.3304	0.061	5	104.5290	0.353	24	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.7300	0.000	1	104.7300	0.000	1	104.5290	0.353	24	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	103.8624	0.132	5	103.8624	0.017	5	104.5290	0.353	24	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.5330	0.000	1	104.5330	0.000	1	104.5290	0.353	24	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	104.2450	0.000	1	104.2450	0.000	1	104.5290	0.353	24	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	104.5920	0.000	1	104.5920	0.000	1	104.5290	0.353	24	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	104.5050	0.000	1	104.5050	0.000	1	104.5290	0.353	24	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){5|C<3>}	105.0310	0.317	2	105.0310	0.100	2	104.5290	0.353	24	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	103.9442	0.159	4	103.9442	0.025	4	104.5290	0.353	24	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	104.6110	0.000	1	104.7623	0.018	3	104.5290	0.353	24	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	104.8380	0.033	2	104.7623	0.018	3	104.5290	0.353	24	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	104.6390	0.000	1	104.6390	0.000	1	104.2887	0.140	3	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	103.8940	0.000	1	103.8940	0.000	1	104.2887	0.140	3	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){4|C<3>}	104.3330	0.000	1	104.3330	0.000	1	104.2887	0.140	3	104.9164	1.896	30	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	103.7370	0.117	2	103.7370	0.014	2	103.7370	0.014	2	103.7370	0.014	2	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]){1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.4770	0.000	1	104.4770	0.000	1	104.4770	0.000	1	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.3097	0.628	3	104.3097	0.394	3	104.5015	0.198	8	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.6500	0.000	1	104.6275	0.140	4	104.5015	0.198	8	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.6200	0.458	3	104.6275	0.140	4	104.5015	0.198	8	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	104.5730	0.000	1	104.5730	0.000	1	104.5015	0.198	8	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	105.1640	0.499	2	105.1640	0.249	2	105.1640	0.249	2	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.4765	0.804	2	104.6952	0.121	13	104.6952	0.121	13	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.0460	0.000	1	104.6952	0.121	13	104.6952	0.121	13	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.8720	0.000	1	104.6952	0.121	13	104.6952	0.121	13	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.5870	0.062	4	104.6952	0.121	13	104.6952	0.121	13	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	105.1045	0.217	2	104.6952	0.121	13	104.6952	0.121	13	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	104.3920	0.000	1	104.6952	0.121	13	104.6952	0.121	13	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.6090	0.062	2	104.6952	0.121	13	104.6952	0.121	13	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.4490	0.000	1	104.4490	0.000	1	104.4490	0.000	1	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,2|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C){3|C<3>}	103.2180	0.000	1	103.2180	0.000	1	104.1086	0.679	5	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]F)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|F<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	104.6980	0.000	1	104.6980	0.000	1	104.1086	0.679	5	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.2090	0.879	3	104.2090	0.772	3	104.1086	0.679	5	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	105.1295	0.032	2	105.1295	0.001	2	105.1295	0.001	2	104.5971	0.272	32	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	104.4890	0.000	1	104.4890	0.000	1	104.5405	0.005	2	104.4187	0.047	3	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	104.5920	0.000	1	104.5920	0.000	1	104.5405	0.005	2	104.4187	0.047	3	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a]){6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	104.1750	0.000	1	104.1750	0.000	1	104.1750	0.000	1	104.4187	0.047	3	104.6274	1.007	80	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,1|S<1>,2|H<1>}	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<2>}	103.0170	0.000	1	103.0170	0.000	1	103.0170	0.000	1	102.4100	0.210	33	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	101.9725	0.204	2	101.9725	0.042	2	102.4074	0.202	31	102.4100	0.210	33	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Br<1>,1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	102.1440	0.000	1	102.4373	0.201	29	102.4074	0.202	31	102.4100	0.210	33	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	101.6930	0.000	1	102.4373	0.201	29	102.4074	0.202	31	102.4100	0.210	33	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	102.6500	0.025	2	102.4373	0.201	29	102.4074	0.202	31	102.4100	0.210	33	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	102.5046	0.481	16	102.4373	0.201	29	102.4074	0.202	31	102.4100	0.210	33	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	103.0470	0.184	2	102.4373	0.201	29	102.4074	0.202	31	102.4100	0.210	33	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	102.2197	0.091	3	102.4373	0.201	29	102.4074	0.202	31	102.4100	0.210	33	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	102.4540	0.000	1	102.4373	0.201	29	102.4074	0.202	31	102.4100	0.210	33	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	102.0883	0.153	3	102.4373	0.201	29	102.4074	0.202	31	102.4100	0.210	33	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]H){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|S<2>}	101.8860	0.000	1	101.8860	0.000	1	101.8860	0.000	1	102.4100	0.210	33	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:N-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NN)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,3|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NN){1|C<3>,1|N<2>}	104.0010	0.000	1	104.0010	0.000	1	104.0010	0.000	1	102.5251	0.516	9	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:O-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a]){1|C<3>,1|N<2>}	101.6500	0.202	2	101.6500	0.041	2	101.6500	0.041	2	102.5251	0.516	9	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:S-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	102.6695	0.255	2	102.5708	0.073	6	102.5708	0.073	6	102.5251	0.516	9	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:S-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	102.4540	0.330	3	102.5708	0.073	6	102.5708	0.073	6	102.5251	0.516	9	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:S-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|S<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	102.7240	0.000	1	102.5708	0.073	6	102.5708	0.073	6	102.5251	0.516	9	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]O[5a]N)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]O[5a]N){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){1|C<3>,1|N<2>}	103.2690	0.089	2	103.2690	0.008	2	103.2690	0.008	2	103.3226	5.339	11	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]N){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC){1|C<3>,1|N<2>}	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	103.3226	5.339	11	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	102.9420	0.000	1	103.3840	0.238	3	103.3840	0.238	3	103.3226	5.339	11	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	103.6050	0.427	2	103.3840	0.238	3	103.3840	0.238	3	103.3226	5.339	11	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H){1|C<3>,1|N<2>}	102.9380	0.000	1	102.9380	0.000	1	102.0838	1.948	5	103.3226	5.339	11	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHH)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHH){1|C<3>,1|N<2>}	103.1465	0.100	2	103.1465	0.010	2	102.0838	1.948	5	103.3226	5.339	11	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NOO)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<3>,2|N<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NOO){1|C<3>,1|N<2>}	101.0140	0.000	1	100.5940	0.353	2	102.0838	1.948	5	103.3226	5.339	11	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NOO)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){1|C<3>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|N<2>,1|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NOO){1|C<3>,1|N<2>}	100.1740	0.000	1	100.5940	0.353	2	102.0838	1.948	5	103.3226	5.339	11	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC3){1|C<3>,1|N<2>}	110.5400	0.000	1	110.5400	0.000	1	110.7615	0.098	2	104.8580	16.732	7	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCH){1|C<3>,1|N<2>}	110.9830	0.000	1	110.9830	0.000	1	110.7615	0.098	2	104.8580	16.732	7	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	103.2465	0.114	2	103.2465	0.013	2	103.2465	0.013	2	104.8580	16.732	7	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:S-4:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SCOO)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Cl<1>,1|S<4>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SCOO){1|C<3>,1|N<2>}	101.5690	0.000	1	101.5690	0.000	1	101.6275	0.007	2	104.8580	16.732	7	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:S-4:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SNOO)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SNOO){1|C<3>,1|N<2>}	101.6860	0.000	1	101.6860	0.000	1	101.6275	0.007	2	104.8580	16.732	7	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]N[5a]C){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){1|C<3>,1|S<2>}	102.7350	0.000	1	102.7350	0.000	1	102.7350	0.000	1	104.8580	16.732	7	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6,6a]N[6a])(C[5a]N[5a,6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a,6]C[5a,6,6a]B[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6,6a]N[6a])(C[5a]N[5a,6]H){1|B<4>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(N[5a]C[5a])(N[6a]C[6a]){1|B<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6,6a]B[6])(N[5a]C[5a,6a])(H){1|N<2>,2|C<3>,2|C<4>}	103.0600	0.000	1	103.0600	0.000	1	103.0600	0.000	1	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.5950	0.027	2	103.7264	0.067	14	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.6570	0.088	2	103.7264	0.067	14	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|O<2>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.4720	0.000	1	103.7264	0.067	14	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.4790	0.339	2	103.7264	0.067	14	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.8000	0.000	1	103.7264	0.067	14	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.7000	0.000	1	103.7264	0.067	14	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.8860	0.000	1	103.7264	0.067	14	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	104.1007	0.121	3	103.7264	0.067	14	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.5480	0.000	1	103.7264	0.067	14	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	104.5560	0.000	1	103.7203	0.768	3	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	103.3025	0.699	2	103.7203	0.768	3	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.6920	0.000	1	103.7948	0.073	17	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.6072	0.227	4	103.7948	0.073	17	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.6290	0.000	1	103.7948	0.073	17	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.9062	0.290	9	103.7948	0.073	17	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,4|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.9720	0.000	1	103.7948	0.073	17	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.6330	0.000	1	103.7948	0.073	17	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]Rh)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|Rh<5>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Rh<5>,1|H<1>,1|N<2>,2|N<3>}	C[5a](N[5a]C[5a,6a]Rh)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	106.6500	0.000	1	106.6500	0.000	1	103.8426	0.345	35	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H){3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	106.0430	0.000	1	106.0430	0.000	1	104.8988	0.593	4	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H){3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	104.3660	0.000	1	104.3660	0.000	1	104.8988	0.593	4	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	104.5930	0.020	2	104.5930	0.000	2	104.8988	0.593	4	103.9287	0.469	40	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	105.2760	0.000	1	105.2760	0.000	1	105.2760	0.000	1	105.2515	0.404	12	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(COO)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	104.3320	0.076	2	104.3320	0.006	2	104.3320	0.006	2	105.2515	0.404	12	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	105.7495	0.412	2	105.7495	0.170	2	105.5059	0.312	8	105.2515	0.404	12	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	105.2423	0.407	3	105.2392	0.110	4	105.5059	0.312	8	105.2515	0.404	12	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	105.2300	0.000	1	105.2392	0.110	4	105.5059	0.312	8	105.2515	0.404	12	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	106.5410	0.000	1	105.7955	1.112	2	105.5059	0.312	8	105.2515	0.404	12	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	105.0500	0.000	1	105.7955	1.112	2	105.5059	0.312	8	105.2515	0.404	12	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]N)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]N){3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(NCH){1|N<2>,3|C<3>}	105.0310	0.000	1	105.0310	0.000	1	105.0310	0.000	1	105.2515	0.404	12	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3){2|C<3>,2|N<2>}	105.4720	0.000	1	105.4720	0.000	1	105.2910	0.073	4	105.2910	0.073	4	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CSeHH)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CSeHH){1|C<3>,1|N<2>}	105.2307	0.296	3	105.2307	0.087	3	105.2910	0.073	4	105.2910	0.073	4	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<3>}	101.7953	0.552	3	102.7728	5.212	6	102.7281	4.357	7	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<3>}	107.3710	0.000	1	102.7728	5.212	6	102.7281	4.357	7	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){3|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<3>}	101.9400	0.232	2	102.7728	5.212	6	102.7281	4.357	7	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,1|N<3>,1|S<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<2>}	102.4600	0.000	1	102.4600	0.000	1	102.7281	4.357	7	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H){2|C<3>}	104.1900	0.000	1	104.1900	0.000	1	103.8274	0.197	5	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H){2|C<3>}	103.8970	0.710	2	103.8970	0.504	2	103.8274	0.197	5	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H){2|C<3>}	103.5765	0.136	2	103.5765	0.019	2	103.8274	0.197	5	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(H){2|C<3>}	110.1500	0.000	1	110.1500	0.000	1	109.7110	0.429	7	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(H){2|C<3>}	109.0890	0.000	1	109.0890	0.000	1	109.7110	0.429	7	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(H){2|C<3>}	109.7476	0.705	5	109.7476	0.497	5	109.7110	0.429	7	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:S-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<1>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(S){2|C<3>}	113.2090	2.438	2	113.2090	5.944	2	113.2090	5.944	2	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|O<1>,2|N<3>}	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<3>}	101.3290	0.486	2	100.9930	0.457	3	101.4207	1.302	6	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<3>}	100.3210	0.000	1	100.9930	0.457	3	101.4207	1.302	6	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<3>}	101.0415	0.771	2	101.0415	0.595	2	101.4207	1.302	6	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])2(H){1|C<3>,1|N<3>}	103.4620	0.000	1	103.4620	0.000	1	101.4207	1.302	6	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:Br-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]Br)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]Br){3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a]){2|Br<1>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(Br){2|C<3>}	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){2|C<3>}	102.3240	0.000	1	102.3240	0.000	1	102.3240	0.000	1	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:Br-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Br)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Br)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Br){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Br){2|C<3>}	100.8891	0.752	4	100.8891	0.566	4	100.8891	0.566	4	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:Cl-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Cl)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Cl)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]Cl){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Cl){2|C<3>}	101.6497	0.121	4	101.6497	0.015	4	101.6497	0.015	4	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H){3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){2|C<3>}	102.1750	0.136	2	102.1750	0.018	2	102.1750	0.018	2	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:I-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]I)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(I)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]I){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(I){2|C<3>}	102.2870	0.000	1	102.2870	0.000	1	102.2870	0.000	1	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<3>}	101.1430	0.000	1	101.1430	0.000	1	101.1430	0.000	1	104.1730	15.137	41	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC){2|C<3>}	103.8780	0.000	1	103.8780	0.000	1	103.8780	0.000	1	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SB[3x3])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SB[3x3]){2|C<3>}	104.3590	0.000	1	104.3590	0.000	1	104.0312	1.093	14	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC){2|C<3>}	103.4388	0.330	5	103.5600	0.175	6	104.0312	1.093	14	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC){2|C<3>}	104.1660	0.000	1	103.5600	0.175	6	104.0312	1.093	14	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a]){2|C<3>}	103.6220	0.000	1	103.7490	0.014	3	104.0312	1.093	14	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a]){2|C<3>}	103.8125	0.054	2	103.7490	0.014	3	104.0312	1.093	14	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[6a]){2|C<3>}	103.5600	0.000	1	103.5600	0.000	1	104.0312	1.093	14	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SCu)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SCu){2|C<3>}	106.5630	0.000	1	106.5630	0.000	1	104.0312	1.093	14	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SN){2|C<3>}	103.2310	0.000	1	103.2310	0.000	1	104.0312	1.093	14	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SPt)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SPt){2|C<3>}	106.1170	0.000	1	106.1170	0.000	1	104.0312	1.093	14	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC){2|C<3>}	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC){2|C<3>}	110.1749	0.652	18	110.1749	0.425	18	110.5879	2.410	27	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5]){2|C<3>}	110.7115	0.013	2	110.7115	0.000	2	110.5879	2.410	27	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5a]){2|C<3>}	111.4443	2.016	3	111.4443	4.063	3	110.5879	2.410	27	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NH){2|C<3>}	110.6360	0.000	1	110.6360	0.000	1	110.5879	2.410	27	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NN){2|C<3>}	109.4440	0.000	1	109.6985	0.130	2	110.5879	2.410	27	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NN){2|C<3>}	109.9530	0.000	1	109.6985	0.130	2	110.5879	2.410	27	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NP)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NP){2|C<3>}	116.9360	0.000	1	116.9360	0.000	1	110.5879	2.410	27	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:O-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(OC){2|C<3>}	108.1426	0.811	5	108.1426	0.657	5	108.1426	0.657	5	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:P-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[5]){2|C<3>}	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SB[5x3])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SB[5x3]){2|C<3>}	110.7170	0.000	1	110.7170	0.000	1	110.1479	1.099	41	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SC){2|C<3>}	109.9187	0.351	29	109.9187	0.123	29	110.1479	1.099	41	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SC[6a]){2|C<3>}	109.9680	0.000	1	109.9680	0.000	1	110.1479	1.099	41	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SFe)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SFe){2|C<3>}	110.1954	0.765	9	110.1954	0.585	9	110.1479	1.099	41	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SRu)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SRu){2|C<3>}	115.9750	0.000	1	115.9750	0.000	1	110.1479	1.099	41	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:O-2:	N[5a](C[5a,6a]N[5a,6a]2)(C[5a]N[5a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC)	N[5a](C[5a,6a]N[5a,6a]2)(C[5a]N[5a]O){3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC){1|C<3>,1|N<3>}	100.4210	0.000	1	100.4210	0.000	1	100.4210	0.000	1	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:O-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|O<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a]){1|C<3>,1|N<3>}	100.5410	0.000	1	100.5410	0.000	1	100.5410	0.000	1	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:S-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<3>}	102.0330	0.000	1	102.0330	0.000	1	102.0330	0.000	1	108.9130	9.046	93	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]S[5a]){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a]){1|N<2>,1|S<2>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.4270	0.000	1	110.4270	0.000	1	110.3170	0.024	2	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]S[5a]){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])2(N[5a]C[5a]){1|N<2>,1|S<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.2070	0.000	1	110.2070	0.000	1	110.3170	0.024	2	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	C[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	102.8715	0.145	4	102.8715	0.021	4	102.8715	0.021	4	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){5|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC){2|C<3>}	103.8480	0.000	1	103.8480	0.000	1	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC){2|C<3>}	103.9600	0.000	1	104.3220	0.262	2	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC){2|C<3>}	104.6840	0.000	1	104.3220	0.262	2	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH){2|C<3>}	104.2800	0.033	2	104.5587	0.104	14	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH){2|C<3>}	104.6052	0.326	12	104.5587	0.104	14	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCN){2|C<3>}	104.9890	0.000	1	104.9890	0.000	1	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]C){2|C<3>}	103.9925	0.416	2	103.9925	0.173	2	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C){2|C<3>}	104.9015	0.350	2	104.9015	0.123	2	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	103.5600	0.338	2	103.5600	0.114	2	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClC){2|C<3>}	104.0270	0.000	1	104.0270	0.000	1	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CNO){2|C<3>}	104.4420	0.000	1	104.4420	0.000	1	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[5]C){2|C<3>}	103.6440	0.000	1	103.6440	0.000	1	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[6]O){2|C<3>}	104.4400	0.000	1	104.4400	0.000	1	104.3844	0.222	28	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|S<2>}	104.0853	0.422	4	104.0853	0.178	4	104.0853	0.178	4	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	105.1260	0.000	1	105.1260	0.000	1	105.1260	0.000	1	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	103.9830	0.000	1	103.9830	0.000	1	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.2620	0.000	1	103.2620	0.000	1	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|C<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(N[5a]C[5a]){1|C<2>,1|O<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.5670	0.163	2	104.5670	0.026	2	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.3785	0.180	2	105.3785	0.033	2	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.2590	0.000	1	104.2590	0.000	1	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	105.3180	0.000	1	105.3180	0.000	1	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	104.3550	0.000	1	104.3550	0.000	1	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	104.8770	0.000	1	104.6409	0.822	33	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	104.4940	0.000	1	104.6409	0.822	33	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	105.4915	0.094	2	104.6409	0.822	33	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.2580	0.228	3	104.6409	0.822	33	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,5|C<3>}	104.0430	0.000	1	104.6409	0.822	33	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	104.8730	0.427	2	104.6409	0.822	33	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|O<2>,5|C<3>}	103.7670	0.000	1	104.6409	0.822	33	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.6057	1.082	20	104.6409	0.822	33	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	105.1755	0.057	2	104.6409	0.822	33	104.6242	0.744	42	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){2|C<3>}	103.5020	0.000	1	103.5020	0.000	1	103.8172	0.411	5	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCH){2|C<3>}	102.8910	0.000	1	102.8910	0.000	1	103.8172	0.411	5	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NHH){2|C<3>}	103.9670	0.000	1	103.9670	0.000	1	103.8172	0.411	5	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N){1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){2|C<3>}	104.3630	0.260	2	104.3630	0.068	2	103.8172	0.411	5	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHP)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHP){2|C<3>}	111.0040	0.000	1	111.0040	0.000	1	109.8178	6.667	32	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCC){2|C<3>}	108.0779	5.242	7	108.0779	27.479	7	109.8178	6.667	32	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCH){2|C<3>}	110.5612	0.962	10	110.5612	0.925	10	109.8178	6.667	32	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCN){2|C<3>}	110.3140	0.000	1	110.3140	0.000	1	109.8178	6.667	32	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCO){2|C<3>}	109.7190	0.282	4	109.7190	0.080	4	109.8178	6.667	32	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5]C){2|C<3>}	110.4977	0.568	3	110.4977	0.323	3	109.8178	6.667	32	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C){2|C<3>}	110.8105	0.501	2	110.8105	0.251	2	109.8178	6.667	32	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]O){2|C<3>}	109.5300	0.000	1	109.5300	0.000	1	109.8178	6.667	32	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHN){2|C<3>}	109.9300	0.000	1	109.9300	0.000	1	109.8178	6.667	32	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CNO){2|C<3>}	110.0710	0.000	1	110.0710	0.000	1	109.8178	6.667	32	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(COS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(COS){2|C<3>}	109.1720	0.000	1	109.1720	0.000	1	109.8178	6.667	32	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|S<2>}	109.6135	0.295	2	109.6135	0.087	2	109.9979	0.153	9	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5]){1|C<2>,3|C<3>}	110.0210	0.000	1	110.1077	0.127	7	109.9979	0.153	9	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5]){1|C<4>,3|C<3>}	109.9260	0.282	4	110.1077	0.127	7	109.9979	0.153	9	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5]){2|C<3>,2|C<4>}	110.5145	0.224	2	110.1077	0.127	7	109.9979	0.153	9	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]N[5a]2){1|O<2>,3|C<3>}	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2){1|C<4>,1|O<1>,4|C<3>}	110.4940	0.000	1	110.4940	0.000	1	110.4940	0.000	1	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.7435	0.066	2	109.7435	0.004	2	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.6895	0.153	2	110.6895	0.024	2	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.9620	0.000	1	109.9620	0.000	1	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	111.8555	0.093	2	111.8555	0.009	2	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	111.3770	0.000	1	111.3770	0.000	1	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.8070	0.000	2	110.8070	0.000	2	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|C<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|S<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.5800	0.000	1	110.3888	0.032	4	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.4180	0.000	1	110.3888	0.032	4	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.2785	0.189	2	110.3888	0.032	4	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	111.6060	0.000	1	110.6356	0.501	64	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.6913	0.363	3	110.6356	0.501	64	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.8300	0.000	1	110.6356	0.501	64	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	110.6655	0.543	8	110.6356	0.501	64	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.6048	0.751	51	110.6356	0.501	64	110.6380	0.488	78	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHH){2|C<3>}	110.6160	0.000	1	110.6160	0.000	1	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH){2|C<3>}	109.6770	0.061	2	109.6770	0.004	2	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCuC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCuC){2|C<3>}	110.2620	0.503	2	110.2620	0.253	2	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHH){2|C<3>}	110.1523	0.034	3	110.1523	0.001	3	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHN){2|C<3>}	109.4140	0.000	1	109.4140	0.000	1	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|Cl<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH){2|C<3>}	109.3817	0.166	3	109.3817	0.028	3	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC){2|C<3>}	110.5600	0.500	3	110.5600	0.250	3	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH){2|C<3>}	109.6676	0.446	44	109.6676	0.199	44	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6]H){2|C<3>}	109.9610	0.132	2	109.9610	0.017	2	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6a]H){2|C<3>}	110.3810	0.000	1	109.9972	0.181	9	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6a]H){2|C<3>}	109.9493	0.428	8	109.9972	0.181	9	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCuC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCuC){2|C<3>}	111.0925	0.883	2	111.0925	0.780	2	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHH){2|C<3>}	110.6422	0.630	30	110.6422	0.397	30	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHN){2|C<3>}	109.3854	0.670	11	109.3930	0.409	12	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHN){2|C<3>}	109.4770	0.000	1	109.3930	0.409	12	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHP)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHP){2|C<3>}	109.9180	0.000	1	109.9180	0.000	1	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NRuC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NRuC){2|C<3>}	109.2250	0.000	1	109.2250	0.000	1	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]I)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|I<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]I)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC){2|C<3>}	109.4715	0.374	2	109.4715	0.140	2	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHH){2|C<3>}	110.2510	0.000	1	110.2510	0.000	1	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH){2|C<3>}	109.4858	0.339	12	109.4858	0.115	12	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N){1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NHH){2|C<3>}	110.0690	0.366	4	110.0690	0.134	4	109.9413	0.452	135	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2){2|C<3>,2|C<4>,2|O<1>}	109.9360	0.000	1	109.9360	0.000	1	109.2420	0.362	3	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]N[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]N[5]){1|C<4>,1|H<1>,4|C<3>}	108.9290	0.000	1	108.8950	0.002	2	109.2420	0.362	3	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]N[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	108.8610	0.000	1	108.8950	0.002	2	109.2420	0.362	3	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	109.9560	0.522	8	109.9560	0.273	8	109.9560	0.273	8	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[6a]S[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	108.6210	0.000	1	110.5006	1.168	5	110.5006	1.168	5	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[6a]S[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>}	110.9705	0.291	4	110.5006	1.168	5	110.5006	1.168	5	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:P-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PCl2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PCl2){2|C<3>}	109.8450	0.000	1	109.8450	0.000	1	110.2350	0.304	2	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:P-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PN[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PN[5a]2){2|C<3>}	110.6250	0.000	1	110.6250	0.000	1	110.2350	0.304	2	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.9800	0.000	1	102.9800	0.000	1	103.0805	0.020	2	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.1810	0.000	1	103.1810	0.000	1	103.0805	0.020	2	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	101.2327	0.320	4	101.2327	0.103	4	101.2327	0.103	4	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.5915	0.136	2	104.5915	0.019	2	104.4270	0.090	3	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a]){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(N[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	104.0980	0.000	1	104.0980	0.000	1	104.4270	0.090	3	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N){3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[5a]H){2|C<3>}	109.4030	1.155	2	109.4030	1.335	2	109.4030	1.335	2	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCH)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C){1|C<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCH){2|C<3>}	102.9320	0.000	1	102.9320	0.000	1	101.7664	1.721	4	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(COO)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C){1|C<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(COO){2|C<3>}	101.3778	1.294	3	101.3778	1.675	3	101.7664	1.721	4	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.5315	0.363	2	102.5315	0.132	2	102.8127	0.271	4	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	102.6670	0.000	1	103.0940	0.365	2	102.8127	0.271	4	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.5210	0.000	1	103.0940	0.365	2	102.8127	0.271	4	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N){1|C<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H){2|C<3>}	102.6600	0.352	2	102.6600	0.124	2	101.7415	1.168	4	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHS)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]N){1|O<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHS){2|C<3>}	100.8230	0.069	2	100.8230	0.005	2	101.7415	1.168	4	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	101.7770	0.000	1	101.7770	0.000	1	101.7770	0.000	1	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHH)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHH){1|C<3>,1|N<3>}	102.0685	0.141	2	102.0685	0.020	2	102.0685	0.020	2	108.3959	9.100	386	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]C[3])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	103.4630	0.000	1	103.4630	0.000	1	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	103.7710	0.000	1	103.7710	0.000	1	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|Cl<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Cl)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH){2|C<3>}	104.1880	0.000	1	104.1880	0.000	1	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH){2|C<3>}	104.9960	0.000	1	104.9960	0.000	1	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH){2|C<3>}	103.8970	0.000	1	103.8970	0.000	1	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	104.0990	0.107	2	104.0990	0.012	2	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH){2|C<3>}	104.1930	0.187	2	104.1930	0.035	2	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH){2|C<3>}	103.7280	0.000	1	103.7280	0.000	1	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH){2|C<3>}	103.8075	0.613	2	103.8075	0.376	2	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	104.6050	0.000	1	104.6050	0.000	1	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|C<4>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHO){2|C<3>}	104.5750	0.122	3	104.5750	0.015	3	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHP)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHP){2|C<3>}	105.5850	0.000	1	105.5850	0.000	1	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C){1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	103.9600	0.000	1	103.9600	0.000	1	104.2287	0.294	18	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[4]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	104.2507	0.235	6	104.1698	0.056	10	104.1698	0.056	10	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[4]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[4]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	104.0485	0.210	4	104.1698	0.056	10	104.1698	0.056	10	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]C[5]2Fe)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	104.3770	0.000	1	104.3770	0.000	1	104.2565	0.262	4	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]C[5]2Fe)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	104.5610	0.231	2	104.2163	0.383	3	104.2565	0.262	4	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]C[5]2Fe)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	103.5270	0.000	1	104.2163	0.383	3	104.2565	0.262	4	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C[5a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|S<2>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHH){2|C<3>}	110.2830	0.000	1	110.2830	0.000	1	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CClHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CClHH){2|C<3>}	109.9505	0.298	2	109.9505	0.089	2	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CH3){2|C<3>}	110.9880	0.000	1	110.9880	0.000	1	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<2>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHO){2|C<3>}	110.0320	0.000	1	110.0320	0.000	1	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CBrCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CBrCH){2|C<3>}	109.8130	0.000	1	109.8130	0.000	1	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC3){2|C<3>}	110.7377	0.241	3	110.7377	0.058	3	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCF)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCF){2|C<3>}	109.8090	0.375	2	109.8090	0.140	2	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCCH){2|C<3>}	110.6060	0.466	3	110.6060	0.217	3	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHH){2|C<3>}	110.9296	0.399	5	110.9296	0.159	5	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CCHO){2|C<3>}	110.5990	0.000	1	110.5990	0.000	1	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CC){2|C<3>}	110.6165	0.414	4	110.6165	0.171	4	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CN){2|C<3>}	109.9380	0.000	1	109.9380	0.000	1	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]CO){2|C<3>}	109.9810	0.000	1	109.9810	0.000	1	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[5a]C[6a]O){2|C<3>}	109.1045	1.438	2	109.1045	2.067	2	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	110.4820	0.000	1	110.4820	0.000	1	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HN){2|C<3>}	109.9590	0.000	1	109.9590	0.000	1	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]HO){2|C<3>}	110.4990	0.000	1	110.4990	0.000	1	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CH3){2|C<3>}	110.7320	0.560	2	110.7320	0.314	2	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHN){2|C<3>}	110.2652	0.218	5	110.2652	0.048	5	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHO){2|C<3>}	110.2420	0.142	6	110.2420	0.020	6	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CHHS){2|C<3>}	110.1640	0.037	2	110.1640	0.001	2	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CN[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CN[6a]HH){2|C<3>}	109.8470	0.000	1	109.8470	0.000	1	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CH3){2|C<3>}	109.3940	0.000	1	109.7345	0.232	2	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CH3){2|C<3>}	110.0750	0.000	1	109.7345	0.232	2	110.3129	0.296	49	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6]){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2C){1|O<2>,3|H<1>,4|C<3>}	110.3560	0.000	1	110.3560	0.000	1	110.3560	0.000	1	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:P-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[5a]Fe2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[5a]Fe2){2|C<3>}	110.9805	0.040	2	110.9805	0.002	2	110.5420	0.346	7	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:P-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[6a]2Cu)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[6a]2Cu){2|C<3>}	110.3480	0.714	4	110.3480	0.510	4	110.5420	0.346	7	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:P-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[6a]2O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]P){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[6a]2O){2|C<3>}	110.4410	0.000	1	110.4410	0.000	1	110.5420	0.346	7	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:S-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SCOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SCOO){2|C<3>}	109.1209	0.236	9	109.1209	0.056	9	109.1176	0.050	10	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:S-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SC[6a]OO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SC[6a]OO){2|C<3>}	109.0880	0.000	1	109.0880	0.000	1	109.1176	0.050	10	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CHHO){2|C<3>}	102.5470	0.000	1	102.5470	0.000	1	102.5470	0.000	1	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){2|C<3>}	102.9550	0.000	1	102.9550	0.000	1	102.9550	0.000	1	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH){1|C<3>,1|N<3>}	101.7880	0.148	2	101.7880	0.022	2	101.4060	0.205	4	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CF3)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CF3){1|C<3>,1|N<3>}	101.0240	0.102	2	101.0240	0.010	2	101.4060	0.205	4	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:S-4:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SCOO)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<4>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SCOO){1|C<3>,1|N<3>}	100.6780	0.000	1	100.6780	0.000	1	100.6780	0.000	1	107.8048	10.348	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a])(H){1|H<1>,1|O<2>,3|C<3>}	104.8080	0.000	1	104.8080	0.000	1	104.8080	0.000	1	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.4412	0.555	4	103.4412	0.308	4	103.4412	0.308	4	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	104.2125	0.309	2	104.2125	0.095	2	103.6130	0.417	8	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	103.5168	0.621	5	103.5168	0.386	5	103.6130	0.417	8	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	102.8950	0.000	1	102.8950	0.000	1	103.6130	0.417	8	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	103.7136	0.528	5	103.7136	0.279	5	103.6915	0.386	8	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	102.7170	0.000	1	103.6547	0.790	3	103.6915	0.386	8	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	104.1235	0.511	2	103.6547	0.790	3	103.6915	0.386	8	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl){2|C<3>}	103.5960	0.374	4	103.4868	0.164	5	103.6503	0.292	6	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(Cl){2|C<3>}	103.0500	0.000	1	103.4868	0.164	5	103.6503	0.292	6	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	104.4680	0.000	1	104.4680	0.000	1	103.6503	0.292	6	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|H<1>,2|C<3>,2|C<4>}	104.2580	0.000	1	104.2580	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	103.9920	0.000	1	103.9920	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	103.9530	0.027	2	103.9530	0.001	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	103.8536	0.276	5	103.8536	0.076	5	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	103.0830	0.000	1	103.0830	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	104.1250	0.000	1	104.1250	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	103.8150	0.000	1	103.8150	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	105.4350	0.000	1	105.4350	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	103.8950	0.064	2	103.8950	0.004	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	104.6390	0.337	2	104.6390	0.113	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	103.5090	0.000	1	103.5090	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	103.7020	0.000	1	103.7020	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|Cl<1>,1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	104.2250	0.117	3	104.2250	0.014	3	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|F<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|C<3>,2|F<1>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	104.5735	0.432	2	104.5735	0.187	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|B<6>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|B<6>,1|C<3>,3|H<1>}	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(N[5a]C[5a,6a])(H){1|C<6>,2|C<3>,4|B<6>}	103.7270	0.000	1	103.7270	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Au)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Au<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Au<2>,1|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]Au)(N[5a]C[5a,6a])(H){2|C<3>}	104.8150	0.000	1	104.8150	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	105.4270	0.000	1	104.4471	0.774	101	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	104.1697	0.247	3	104.4471	0.774	101	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	104.4151	0.922	79	104.4471	0.774	101	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	104.3449	0.807	9	104.4471	0.774	101	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	103.9090	0.000	1	104.4471	0.774	101	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	104.9273	0.568	8	104.4471	0.774	101	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[3x6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[3x6])(N[5a]C[5a,6a])(H){2|C<3>,3|C<4>}	104.0470	0.000	1	104.0470	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.4440	0.000	1	104.9380	0.512	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|H<1>,2|C<3>,2|S<2>}	104.4320	0.000	1	104.9380	0.512	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(H){1|N<3>,3|C<3>}	104.8945	0.455	2	104.7963	0.082	4	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	104.6980	0.017	2	104.7963	0.082	4	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	104.3203	0.589	21	104.3203	0.347	21	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	104.3952	1.314	6	105.1772	4.851	22	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|F<1>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	109.7280	0.000	1	105.1772	4.851	22	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	104.6550	0.123	2	105.1772	4.851	22	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,4|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	105.0619	2.365	12	105.1772	4.851	22	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	107.7470	0.000	1	105.1772	4.851	22	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]P[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]P[6])(N[5a]C[5a,6a])(H){1|O<2>,2|C<3>,2|N<2>}	104.7933	0.140	4	104.7933	0.020	4	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H){2|C<3>}	104.3840	0.000	1	104.3840	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	103.7293	0.450	3	103.7293	0.202	3	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,4|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	103.8750	0.677	2	103.8750	0.459	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|S<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H){2|C<3>}	105.1630	0.000	1	105.1630	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	102.9853	0.236	3	102.9853	0.056	3	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	102.8110	0.000	1	102.8110	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	103.2570	0.000	1	103.2570	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.2015	0.082	4	103.2587	0.012	6	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.3730	0.020	2	103.2587	0.012	6	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	104.6533	0.549	3	104.6533	0.301	3	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	102.1760	0.000	1	102.1760	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.7440	0.302	16	103.7440	0.091	16	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	104.4350	0.000	1	104.4350	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	104.7040	0.000	1	104.7040	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.7975	0.285	2	103.7975	0.081	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	103.2800	0.000	1	103.1185	0.752	4	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	103.0647	1.054	3	103.1185	0.752	4	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.3585	0.177	2	103.3585	0.032	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|C<3>,2|H<1>,3|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.6680	0.000	1	103.6680	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.6460	0.000	1	103.6460	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a]){1|C<3>,2|H<1>,4|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.7685	0.361	2	103.7685	0.131	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	104.7565	0.144	2	103.4815	0.286	19	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.3315	0.306	17	103.4815	0.286	19	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	103.4496	0.268	8	103.4378	0.064	9	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|N<2>,2|C<3>,2|C<4>}	103.3430	0.000	1	103.4378	0.064	9	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	103.0970	0.051	2	103.0970	0.003	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	103.4880	0.098	2	103.4880	0.010	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|Co<6>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|Co<6>,1|C<3>,1|H<1>}	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	101.9250	0.000	1	101.9250	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.5185	0.248	4	103.5185	0.061	4	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|S<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	104.4525	0.152	2	104.4525	0.023	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.8150	0.409	5	103.8150	0.167	5	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.6642	0.391	55	103.6604	0.148	57	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.5560	0.163	2	103.6604	0.148	57	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[4,5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C[4,5])(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	103.6530	0.000	1	103.6530	0.000	1	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	103.9333	0.125	6	103.8993	0.074	10	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	103.7073	0.410	3	103.8993	0.074	10	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|N<2>,2|C<3>,2|C<4>}	104.2710	0.000	1	103.8993	0.074	10	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	103.7160	0.122	2	103.7160	0.015	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Co<6>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|Co<6>,1|C<3>,1|H<1>}	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	102.8765	0.491	2	102.8765	0.242	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.6886	0.555	28	103.6886	0.308	28	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.9852	1.172	19	103.9029	1.324	21	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.5590	0.000	1	103.9029	1.324	21	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	102.6820	0.000	1	103.9029	1.324	21	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	103.4100	0.000	1	103.8903	0.189	3	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	104.1305	0.176	2	103.8903	0.189	3	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	103.1875	0.074	2	103.1875	0.006	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.8070	0.000	1	103.7300	0.012	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.6530	0.000	1	103.7300	0.012	2	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|P<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.3773	0.254	3	103.3773	0.064	3	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.8230	0.231	4	103.7733	0.042	6	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.6740	0.141	2	103.7733	0.042	6	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.5966	0.522	5	103.5966	0.272	5	104.0159	0.871	419	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:I-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I){2|C<3>}	103.9900	0.000	1	103.9900	0.000	1	103.9900	0.000	1	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	105.2295	0.278	2	105.2295	0.077	2	104.7819	0.399	8	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|N<3>,2|N<2>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	105.2800	0.000	1	105.2800	0.000	1	104.7819	0.399	8	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	104.8495	0.894	2	104.8495	0.800	2	104.7819	0.399	8	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	104.5500	0.137	2	104.2723	0.241	3	104.7819	0.399	8	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	103.7170	0.000	1	104.2723	0.241	3	104.7819	0.399	8	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(N[5a]C[5a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	103.9280	0.000	1	103.9280	0.000	1	105.6980	6.266	2	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|N<2>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	107.4680	0.000	1	107.4680	0.000	1	105.6980	6.266	2	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(Br)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Br){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(Br){1|C<3>,1|N<3>}	102.5400	0.000	1	102.5400	0.000	1	102.5400	0.000	1	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	103.2639	0.953	124	103.2601	0.903	125	103.2307	0.726	204	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	102.7980	0.000	1	103.2601	0.903	125	103.2307	0.726	204	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|Co<6>,1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Co<6>,1|H<1>,1|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	101.7280	0.000	1	101.7280	0.000	1	103.2307	0.726	204	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	103.3072	0.543	70	103.3072	0.295	70	103.2307	0.726	204	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Mg)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|Mg<6>,1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Mg<6>,1|H<1>,1|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a]Mg)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	101.5800	0.000	1	101.5800	0.000	1	103.2307	0.726	204	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Pt)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|Pt<4>,1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pt<4>,1|H<1>,1|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a]Pt)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	101.8455	0.151	2	101.8455	0.023	2	103.2307	0.726	204	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|Zn<4>,1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Zn<4>,1|H<1>,1|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	102.5530	0.000	1	101.9520	0.274	3	103.2307	0.726	204	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|Zn<5>,1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Zn<5>,1|H<1>,1|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	101.6515	0.077	2	101.9520	0.274	3	103.2307	0.726	204	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	103.5950	0.276	2	103.5950	0.076	2	103.2307	0.726	204	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:I-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]I){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|I<1>,1|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I){1|C<3>,1|N<3>}	103.0630	0.001	2	103.0630	0.000	2	103.0630	0.000	2	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Br)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(Br)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(Br){4|C<3>}	103.7725	0.545	2	103.7725	0.297	2	103.7725	0.297	2	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Cl)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]P)(N[5a]C[5a,6a])(Cl)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Cl){1|H<1>,1|P<4>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	C[5a](C[5a]N[5a,6a]P)(N[5a]C[5a,6a])(Cl){2|C<3>}	104.0190	0.000	1	104.0190	0.000	1	104.0190	0.000	1	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	104.4150	0.000	1	104.4150	0.000	1	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,1|O<1>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	105.0230	0.000	1	105.0230	0.000	1	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	104.8960	0.000	1	104.6917	0.089	3	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	104.5895	0.339	2	104.6917	0.089	3	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	104.6943	0.056	3	104.6943	0.003	3	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,4|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	103.5570	2.355	2	103.9027	3.131	3	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|O<2>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	104.5940	0.000	1	103.9027	3.131	3	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,4|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	104.4725	0.053	2	104.4725	0.003	2	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	104.7160	0.205	2	104.7160	0.042	2	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	104.2520	0.000	1	104.2520	0.000	1	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	103.8925	0.301	2	103.8925	0.090	2	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(H){2|C<3>}	105.0290	0.000	1	105.0290	0.000	1	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	105.2390	0.000	1	105.2390	0.000	1	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|S<2>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	103.8400	0.000	1	103.8400	0.000	1	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	104.3710	0.000	1	104.3710	0.000	1	104.4635	0.490	22	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:I-1:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]I)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(I)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]I){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(I){4|C<3>}	104.0743	0.407	4	104.0743	0.165	4	104.0743	0.165	4	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])2(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])2(N[5a]C[5a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	103.1780	0.152	12	103.1780	0.023	12	103.1780	0.023	12	103.7832	0.937	705	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	103.7700	0.064	2	103.7700	0.004	2	103.6838	0.217	6	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	104.1520	0.016	2	104.1520	0.000	2	103.6838	0.217	6	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){4|C<3>}	103.1295	0.118	2	103.1295	0.014	2	103.6838	0.217	6	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	109.6370	0.000	1	109.6370	0.000	1	110.1388	0.244	12	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	110.2617	0.115	3	110.2617	0.013	3	110.1388	0.244	12	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	110.2958	0.607	5	110.2958	0.368	5	110.1388	0.244	12	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){4|C<3>}	109.9213	0.559	3	109.9213	0.312	3	110.1388	0.244	12	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|C<4>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	104.1970	0.000	1	104.2730	0.021	6	104.2730	0.021	6	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	104.2882	0.157	5	104.2730	0.021	6	104.2730	0.021	6	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	110.2940	0.000	1	110.0346	0.266	9	110.0346	0.266	9	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	110.0021	0.541	8	110.0346	0.266	9	110.0346	0.266	9	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5]C[5,6]C[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5]C[5,6]C[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|O<1>,6|C<3>}	109.4703	0.515	3	109.4703	0.265	3	109.4703	0.265	3	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN){1|C<3>,1|N<2>}	103.2320	0.000	1	103.2320	0.000	1	103.6035	0.276	2	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(CC){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	103.9750	0.000	1	103.9750	0.000	1	103.6035	0.276	2	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC){2|C<3>}	105.2970	0.000	1	105.2970	0.000	1	104.9330	1.118	15	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[4])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[4]){2|C<3>}	105.3230	0.102	2	105.3230	0.010	2	104.9330	1.118	15	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[5]){2|C<3>}	104.6110	0.000	1	104.6110	0.000	1	104.9330	1.118	15	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[6]){2|C<3>}	104.6880	0.000	1	104.6880	0.000	1	104.9330	1.118	15	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(NC[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(NC[6]){1|H<1>,2|C<3>,2|C<4>}	104.4050	0.000	1	104.4050	0.000	1	104.9330	1.118	15	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	105.7797	2.094	3	104.9276	1.844	9	104.9330	1.118	15	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	104.5015	0.737	6	104.9276	1.844	9	104.9330	1.118	15	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(OC){2|C<3>}	103.7212	0.211	6	103.7212	0.044	6	103.7212	0.044	6	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	103.1060	0.000	1	103.1060	0.000	1	103.1060	0.000	1	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){2|C<3>}	104.5123	0.821	10	104.5123	0.673	10	104.6021	1.536	32	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a]){2|C<3>}	104.7630	0.000	1	104.8920	0.033	2	104.6021	1.536	32	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a]){2|C<3>}	105.0210	0.000	1	104.8920	0.033	2	104.6021	1.536	32	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|Cu<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(SC){2|C<3>}	107.8080	0.000	1	107.8080	0.000	1	104.6021	1.536	32	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SBr)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SBr){2|C<3>}	109.2950	0.000	1	109.2950	0.000	1	104.6021	1.536	32	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SC){2|C<3>}	104.4224	0.380	13	104.4224	0.144	13	104.6021	1.536	32	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SC[6a]){2|C<3>}	104.0250	0.000	1	104.0250	0.000	1	104.6021	1.536	32	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC){1|C<3>,1|N<2>}	103.4583	0.719	3	103.4583	0.517	3	104.6021	1.536	32	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SC[6a]){1|C<3>,1|N<2>}	103.3670	0.000	1	103.3670	0.000	1	104.6021	1.536	32	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|N<2>,4|C<3>}	108.1580	0.000	1	108.1580	0.000	1	108.4263	0.074	3	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	108.5605	0.202	2	108.5605	0.041	2	108.4263	0.074	3	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:Se-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SeHg)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SeHg){2|C<3>}	108.8842	2.068	6	108.8842	4.278	6	108.8842	4.278	6	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(N[5a]N[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]N[5a]){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(N[5a]N[5a,6a]){1|H<1>,4|C<3>}	102.9265	0.175	2	102.9265	0.031	2	102.9265	0.031	2	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NH){1|C<3>,1|N<3>}	103.8250	0.000	1	103.8250	0.000	1	103.8250	0.000	1	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-2:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(CC)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(CC){2|C<3>}	104.8610	0.000	1	104.8610	0.000	1	104.8610	0.000	1	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:Se-2:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Se)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(SeC[6a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Se){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(SeC[6a]){2|C<3>}	104.9720	0.000	1	104.9720	0.000	1	104.9720	0.000	1	106.0389	7.182	106	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.5585	0.071	2	105.5585	0.005	2	105.5585	0.005	2	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]C[6a]){2|C<3>}	102.4090	0.000	1	102.4090	0.000	1	102.4090	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.8040	0.000	1	104.8040	0.000	1	104.3993	0.145	3	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|C<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]){1|C<4>,1|S<2>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.1970	0.212	2	104.1970	0.045	2	104.3993	0.145	3	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[6]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|C<2>,1|H<1>,3|C<3>}	105.1330	0.000	1	105.1330	0.000	1	105.1330	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	104.1757	0.473	4	104.5612	1.286	17	104.5930	1.175	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	104.7647	0.252	3	104.5612	1.286	17	104.5930	1.175	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	106.5910	2.687	2	104.5612	1.286	17	104.5930	1.175	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	104.5600	0.000	1	104.5612	1.286	17	104.5930	1.175	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.1144	0.606	7	104.5612	1.286	17	104.5930	1.175	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.1240	0.000	1	105.1240	0.000	1	104.5930	1.175	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.5975	1.207	2	104.5975	1.457	2	104.5930	1.175	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.1130	0.000	1	105.1130	0.000	1	105.1943	0.079	3	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	105.2350	0.386	2	105.2350	0.149	2	105.1943	0.079	3	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCH){4|C<3>}	104.9640	0.000	1	104.9640	0.000	1	104.9640	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[5]){1|Ir<6>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|Ir<6>,1|H<1>,1|N<2>,4|C<3>}	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[5]N[5]2){1|H<1>,4|C<3>}	101.9060	0.000	1	101.9060	0.000	1	101.9060	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|H<1>,4|C<3>}	105.4370	0.000	1	105.4370	0.000	1	105.4370	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	104.7300	0.000	1	104.7300	0.000	1	104.7300	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.0660	0.000	1	105.0660	0.000	1	104.9619	0.171	81	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	104.7565	0.127	2	104.7565	0.016	2	104.9619	0.171	81	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.9603	0.474	3	104.9603	0.225	3	104.9619	0.171	81	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.4090	0.061	2	104.4248	0.005	4	104.9619	0.171	81	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.4405	0.095	2	104.4248	0.005	4	104.9619	0.171	81	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	104.7417	0.219	6	105.0835	0.141	52	104.9619	0.171	81	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	106.4640	0.000	1	105.0835	0.141	52	104.9619	0.171	81	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	104.7100	0.403	3	105.0835	0.141	52	104.9619	0.171	81	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.1262	0.294	42	105.0835	0.141	52	104.9619	0.171	81	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.5108	0.388	8	104.7583	0.176	19	104.9619	0.171	81	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.9384	0.357	11	104.7583	0.176	19	104.9619	0.171	81	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	104.9670	0.526	3	104.9400	0.121	6	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	104.8625	0.175	2	104.9400	0.121	6	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	105.0140	0.000	1	104.9400	0.121	6	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCN){2|C<3>}	105.5517	0.332	3	105.5517	0.110	3	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCO){2|C<3>}	105.2305	0.197	2	105.2305	0.039	2	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5]C){2|C<3>}	105.3230	0.000	1	105.3230	0.000	1	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHO){2|C<3>}	105.0450	0.000	1	105.0450	0.000	1	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCH){1|N<2>,3|C<3>}	105.6820	0.000	1	105.6820	0.000	1	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCH){2|C<3>}	105.7960	0.460	2	105.7960	0.211	2	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCN){2|C<3>}	105.1030	0.000	1	105.1030	0.000	1	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCO){2|C<3>}	104.1247	0.082	3	104.1247	0.007	3	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]C){2|C<3>}	104.6990	0.000	1	104.6990	0.000	1	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]O){2|C<3>}	104.5450	0.397	4	104.5450	0.158	4	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a])(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a])(CHO){4|C<3>}	105.0610	0.030	2	105.0610	0.001	2	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ni)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Ni<6>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Ni)(N[5a]C[5a,6a])(CCH){2|C<3>}	108.6650	0.000	1	108.6650	0.000	1	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(CCH){2|C<3>}	105.2590	0.000	1	105.2590	0.000	1	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CNO){1|C<3>,1|N<2>}	104.0280	0.000	1	104.0280	0.000	1	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	104.5050	0.389	2	104.5050	0.151	2	105.0574	0.731	32	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){2|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	104.0010	0.000	1	104.0010	0.000	1	104.0349	0.664	12	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|F<1>,1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|H<1>,2|C<3>,2|F<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	103.6520	0.013	5	103.6520	0.000	5	104.0349	0.664	12	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Co<6>,1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[5]N[5]2){1|H<1>,4|C<3>}	102.9480	0.000	1	102.9480	0.000	1	104.0349	0.664	12	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|S<2>}	103.7650	0.000	1	103.7245	0.003	2	104.0349	0.664	12	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){2|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2){2|H<1>,4|C<3>}	103.6840	0.000	1	103.7245	0.003	2	104.0349	0.664	12	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Ru<6>,1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[5]N[5]2){1|H<1>,4|C<3>}	105.2537	0.608	3	105.2537	0.369	3	104.0349	0.664	12	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	104.5831	0.550	8	104.5831	0.303	8	104.4445	1.230	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Br<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){5|C<3>}	104.9698	0.363	4	104.9698	0.132	4	104.4445	1.230	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	105.2512	0.402	4	105.2512	0.162	4	104.4445	1.230	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|H<1>,4|C<3>}	101.2680	0.000	1	101.2680	0.000	1	104.4445	1.230	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[5a]N[5a]2){4|C<3>}	102.6730	0.257	2	102.6730	0.066	2	104.4445	1.230	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,1|N<2>,3|C<3>}	104.7260	0.000	1	104.7260	0.000	1	104.4445	1.230	20	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	104.5340	0.000	1	104.5340	0.000	1	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Al<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Al<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	102.4985	0.484	2	102.7990	0.388	3	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Al<5>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Al<5>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	103.4000	0.000	1	102.7990	0.388	3	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	103.7050	0.000	1	103.7050	0.000	1	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Co<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	102.3835	0.353	6	102.3835	0.124	6	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Cu<3>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	102.9400	0.000	1	103.4438	2.495	5	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	103.8623	2.078	3	103.4438	2.495	5	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Cu<5>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	102.6920	0.000	1	103.4438	2.495	5	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	103.2317	0.546	3	103.2317	0.298	3	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ir<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	102.3833	0.655	3	102.3833	0.428	3	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Os)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Os<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Os)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	102.3300	0.776	2	102.3300	0.603	2	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Re)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Re<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Re)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	103.1130	0.000	1	103.1130	0.000	1	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	102.4400	0.000	1	102.6258	0.147	5	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	102.6722	0.427	4	102.6258	0.147	5	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<5>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	103.1575	0.320	2	104.0160	2.262	3	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|H<1>,4|C<3>}	105.7330	0.000	1	104.0160	2.262	3	102.9682	0.961	33	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Co<5>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<5>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<3>,4|C<3>}	104.5890	0.000	1	104.0430	0.225	3	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Co<6>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<6>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<3>,4|C<3>}	103.7700	0.052	2	104.0430	0.225	3	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.0665	0.434	4	105.0606	0.140	8	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.0547	0.372	4	105.0606	0.140	8	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	105.7520	0.000	1	105.7520	0.000	1	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.8570	0.000	1	104.8570	0.000	1	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.8930	0.000	1	105.8930	0.000	1	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|F<1>,4|C<3>}	104.4360	0.000	1	104.4360	0.000	1	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.0483	0.362	3	105.0483	0.131	3	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.6530	0.000	1	105.2587	0.277	3	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	105.5615	0.053	2	105.2587	0.277	3	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	104.8415	0.342	2	104.8415	0.117	2	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.8240	0.000	1	104.6195	1.266	2	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	105.4150	0.000	1	104.6195	1.266	2	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	104.5720	0.000	1	105.2018	0.397	91	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.0572	0.319	20	105.2018	0.397	91	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	104.3660	0.000	1	105.2018	0.397	91	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	104.4510	0.000	1	105.2018	0.397	91	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	104.9435	0.022	2	105.2018	0.397	91	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	105.5176	0.669	15	105.2018	0.397	91	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	105.0830	0.301	2	105.2018	0.397	91	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	105.3820	0.582	4	105.2018	0.397	91	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.2079	0.727	43	105.2018	0.397	91	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.8490	0.000	1	105.2018	0.397	91	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.7020	0.000	1	105.2018	0.397	91	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]N[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]N[6a]2){4|C<3>}	104.9065	0.285	2	104.9065	0.081	2	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	106.0480	0.000	1	106.0480	0.000	1	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.3460	0.000	1	105.3182	0.122	42	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.2690	0.268	6	105.3182	0.122	42	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	105.2362	0.456	4	105.3182	0.122	42	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.3721	0.348	29	105.3182	0.122	42	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|N<3>,6|C<3>}	104.8350	0.119	2	105.3182	0.122	42	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Cu<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	108.4010	0.000	1	108.4010	0.000	1	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	104.7730	0.000	1	105.0064	0.171	47	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,4|C<3>}	104.4460	0.000	1	105.0064	0.171	47	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.9080	0.000	1	105.0064	0.171	47	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.9626	0.354	41	105.0064	0.171	47	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	105.9330	0.000	2	105.0064	0.171	47	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	105.8390	0.000	1	105.0064	0.171	47	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>}	106.5420	0.000	1	106.5420	0.000	1	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Zn<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	108.5030	0.000	1	108.2160	0.165	2	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Zn<5>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<5>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Zn)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<4>,4|C<3>}	107.9290	0.000	1	108.2160	0.165	2	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	104.8330	0.000	1	104.8330	0.000	1	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	105.0739	0.493	10	105.0422	0.229	11	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	104.7250	0.000	1	105.0422	0.229	11	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	104.7650	0.086	2	104.7650	0.007	2	105.1880	0.425	226	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	105.5130	0.000	1	105.5130	0.000	1	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){2|C<3>}	104.1200	0.000	1	104.5030	0.293	2	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){2|C<3>}	104.8860	0.000	1	104.5030	0.293	2	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NHH){2|C<3>}	104.7475	0.186	2	104.7475	0.035	2	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NC[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NC[5]H){4|C<3>}	104.0370	0.144	2	104.0370	0.021	2	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|Cu<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(NCH){2|C<3>}	107.7080	0.451	2	107.7080	0.204	2	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(NCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|Fe<6>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(NCN){2|C<3>}	106.6430	0.000	1	106.6430	0.000	1	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCC){2|C<3>}	104.3647	0.364	3	104.3647	0.132	3	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCH){2|C<3>}	103.9813	0.487	14	103.9813	0.237	14	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCN){2|C<3>}	103.6313	0.180	7	103.6313	0.032	7	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6]H){2|C<3>}	103.8815	0.433	2	103.8815	0.188	2	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6a]H){2|C<3>}	104.1487	0.047	3	104.1487	0.002	3	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCdC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCdC){2|C<3>}	104.4700	0.000	1	104.4700	0.000	1	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCoC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCoC){2|C<3>}	104.6100	0.000	1	104.6100	0.000	1	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NMgC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NMgC){2|C<3>}	104.5490	0.000	1	104.5490	0.000	1	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NNiC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NNiC){2|C<3>}	104.5420	0.000	1	104.5420	0.000	1	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]N)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]N)(N[5a]C[5a,6a])(NCH){2|C<3>}	104.5130	0.000	1	104.5130	0.000	1	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]P)(N[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]P)(N[5a]C[5a,6a])(NHH){2|C<3>}	105.5260	0.000	1	105.5260	0.000	1	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(NHH){2|C<3>}	106.0767	0.095	3	106.0767	0.009	3	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(NOO){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	103.7840	0.000	1	103.7840	0.000	1	104.4659	1.047	49	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	103.1883	0.124	3	103.1883	0.015	3	102.3276	1.400	5	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|Ir<8>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>}	101.1170	0.000	1	101.1170	0.000	1	102.3276	1.400	5	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|Ru<9>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<9>,1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>}	100.9560	0.000	1	100.9560	0.000	1	102.3276	1.400	5	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[5a]C[5a]2){6|C<3>}	103.4620	0.000	1	103.4620	0.000	1	103.4620	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6]){1|H<1>,2|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	104.3095	0.138	2	104.3095	0.019	2	104.3095	0.019	2	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SCO){2|C<3>}	103.9310	0.000	1	103.9310	0.000	1	103.4886	0.165	5	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SCO){2|C<3>}	103.3780	0.373	4	103.3780	0.139	4	103.4886	0.165	5	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	103.1620	0.000	1	103.1620	0.000	1	103.1620	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){1|C<3>,1|N<3>}	103.9170	0.000	1	103.9170	0.000	1	103.9170	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	104.4180	0.000	1	104.4180	0.000	1	104.4180	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]N){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|N<3>,2|O<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){1|C<3>,1|N<3>}	102.9820	0.075	2	102.9820	0.006	2	102.9820	0.006	2	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	106.6640	0.000	1	106.6640	0.000	1	105.6400	2.097	2	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.6160	0.000	1	104.6160	0.000	1	105.6400	2.097	2	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.5725	0.084	2	105.4998	0.034	4	105.5417	0.029	6	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.4270	0.273	2	105.4998	0.034	4	105.5417	0.029	6	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.5200	0.000	1	105.5200	0.000	1	105.5417	0.029	6	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a]){1|S<2>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.7310	0.000	1	105.7310	0.000	1	105.5417	0.029	6	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	105.7900	0.000	1	105.7900	0.000	1	105.7900	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]O)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]O){2|C<3>}	105.3950	0.000	1	105.3950	0.000	1	104.8969	0.376	10	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(CC[6a]O)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(CC[6a]O){4|C<3>}	105.2080	0.260	5	105.2080	0.068	5	104.8969	0.376	10	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(COO)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(COO){2|C<3>}	104.8300	0.000	1	104.8300	0.000	1	104.8969	0.376	10	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(CCO)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(CCO){2|C<3>}	105.0530	0.000	1	105.0530	0.000	1	104.8969	0.376	10	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(COO)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(COO){2|C<3>}	103.8255	0.245	2	103.8255	0.060	2	104.8969	0.376	10	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.4180	0.506	2	105.4180	0.256	2	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.9970	0.424	2	105.7123	0.333	3	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.1430	0.000	1	105.7123	0.333	3	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.6655	0.009	2	105.6655	0.000	2	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]I)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|I<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]I)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.6170	0.567	2	105.6170	0.322	2	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.4890	0.000	1	106.4890	0.000	1	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8440	0.882	2	105.8440	0.779	2	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.0680	1.166	3	105.3939	0.524	11	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.3410	0.000	1	105.3939	0.524	11	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.6920	0.000	1	105.3939	0.524	11	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.6827	0.492	6	105.3939	0.524	11	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C[6])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[6])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	105.2765	0.064	2	105.2765	0.004	2	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.7223	0.225	3	105.7223	0.051	3	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Cl<1>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.9290	0.000	1	105.9290	0.000	1	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.2250	0.000	1	105.3787	0.205	11	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	106.3460	0.000	1	105.3787	0.205	11	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|C<2>,4|C<3>}	105.1010	0.000	1	105.3787	0.205	11	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.3086	0.403	7	105.3787	0.205	11	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.3340	0.000	1	105.3787	0.205	11	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.8500	0.000	1	105.9290	0.176	17	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.6900	0.000	1	105.9290	0.176	17	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.1328	0.154	4	105.9290	0.176	17	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.2430	0.000	1	105.9290	0.176	17	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8280	0.000	1	105.9290	0.176	17	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.2150	0.000	1	105.9290	0.176	17	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.6795	0.375	8	105.9290	0.176	17	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]N[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.0390	0.000	1	105.0390	0.000	1	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.0680	0.000	1	105.9021	0.156	13	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8722	0.451	10	105.9021	0.156	13	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.9685	0.029	2	105.9021	0.156	13	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.7438	0.804	6	105.7438	0.647	6	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	104.5760	0.000	1	105.2030	0.786	2	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8300	0.000	1	105.2030	0.786	2	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.0955	0.616	2	106.0955	0.379	2	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.6677	0.439	4	105.6677	0.192	4	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.6393	0.393	4	105.6393	0.154	4	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<3>,5|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.2050	0.000	1	105.2050	0.000	1	105.6768	0.291	90	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(NC[6a]H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(NC[6a]H){2|C<3>}	105.1150	0.000	1	105.1150	0.000	1	105.1150	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S-3:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(SCO)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]S){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,1|S<4>,2|H<1>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(SCO){2|C<3>}	105.0590	0.000	1	105.0590	0.000	1	105.0590	0.000	1	104.9118	0.984	616	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3){2|C<3>}	103.6423	0.157	3	103.6423	0.025	3	103.6423	0.025	3	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH){4|C<3>}	103.9320	0.000	1	103.9320	0.000	1	103.9320	0.000	1	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	105.3110	0.474	2	105.3110	0.224	2	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	106.2020	0.000	1	106.2020	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	104.4830	0.000	1	104.4830	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	105.9800	1.500	2	105.9800	2.251	2	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|C<4>,2|C<3>,2|F<1>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH){4|C<3>}	105.7820	0.000	1	105.7820	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ag)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Ag<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]Ag)(N[5a]C[5a,6a])(CCHH){2|C<3>}	107.7920	0.000	1	107.7920	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Au)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Au<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Au<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]Au)(N[5a]C[5a,6a])(CH3){2|C<3>}	103.5740	0.000	1	103.5740	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCCH){2|C<3>}	105.7160	0.000	1	105.7160	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	104.7916	0.227	7	104.8349	0.048	9	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	104.9865	0.139	2	104.8349	0.048	9	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHO){2|C<3>}	104.7185	0.649	6	104.7185	0.421	6	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	104.8100	0.178	3	104.8100	0.032	3	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	104.3660	0.000	1	104.5595	0.075	2	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	104.7530	0.000	1	104.5595	0.075	2	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	105.1520	0.000	1	105.1520	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH){2|C<3>}	104.8410	0.000	1	104.8410	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	104.9950	0.000	1	105.6965	0.179	13	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	105.7989	0.397	8	105.6965	0.179	13	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	105.6672	0.396	4	105.6965	0.179	13	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHN){2|C<3>}	105.8017	0.871	12	105.8017	0.759	12	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CHHO){2|C<3>}	104.6420	0.493	6	104.6420	0.243	6	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	104.8870	0.546	4	104.8870	0.298	4	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5a]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CN[5a]CC){2|C<3>}	105.3007	0.253	4	105.3007	0.064	4	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3){1|N<2>,1|S<2>,2|C<3>}	105.6990	0.000	1	105.6990	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CF3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CF3){4|C<3>}	104.1825	0.457	2	104.1825	0.209	2	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){2|C<3>,2|N<2>}	106.5860	0.000	1	105.7993	0.493	3	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){4|C<3>}	105.4060	0.242	2	105.7993	0.493	3	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Co<5>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(CHHN){2|C<3>}	106.5877	2.250	4	106.5877	5.064	4	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cu<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CCHH){2|C<3>}	108.1810	0.607	2	108.3860	0.503	4	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cu<5>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CCHH){2|C<3>}	108.5910	0.986	2	108.3860	0.503	4	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cu<5>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CHHO){2|C<3>}	107.0937	1.044	3	107.0727	0.729	4	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cu<5>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	C[5a](N[5a]C[5a,6a]Cu)(N[5a]C[5a,6a])(CHHO){2|C<3>}	107.0100	0.000	1	107.0727	0.729	4	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Fe<5>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(CHHN){2|C<3>}	107.2710	0.320	2	107.1564	0.049	5	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Fe<6>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(CHHN){2|C<3>}	107.0800	0.159	3	107.1564	0.049	5	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	105.6337	1.669	17	105.6208	2.623	18	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	105.4020	0.000	1	105.6208	2.623	18	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHO){2|C<3>}	105.0855	0.537	2	105.0855	0.288	2	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5]HH){2|C<3>}	104.6040	0.000	1	104.6040	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	105.0840	0.826	33	105.0840	0.682	33	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	104.7320	0.297	3	104.8562	0.140	5	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	105.0425	0.518	2	104.8562	0.140	5	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CF3){2|C<3>}	103.7880	0.000	1	103.7880	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	104.8025	0.071	2	105.7070	3.650	5	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	107.0120	2.985	2	105.7070	3.650	5	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	104.9060	0.000	1	105.7070	3.650	5	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	105.3914	1.210	31	105.3914	1.463	31	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHO){2|C<3>}	104.4500	0.511	7	104.4500	0.261	7	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHS){2|C<3>}	104.9490	0.000	1	104.9490	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	105.6117	1.463	3	105.6117	2.141	3	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]2H){2|C<3>}	103.8390	0.000	1	103.8390	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[5a]HH){2|C<3>}	104.6393	0.691	4	104.6393	0.478	4	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CN[6]HH){2|C<3>}	104.7020	0.000	1	104.7020	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ni)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Ni<6>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]Ni)(N[5a]C[5a,6a])(CHHN){2|C<3>}	103.4990	0.000	1	103.4990	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ni)(N[5a]C[5a,6a])(CN[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Ni<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]Ni)(N[5a]C[5a,6a])(CN[5]HH){2|C<3>}	103.1010	0.151	2	103.1010	0.023	2	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]P)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|P<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]P)(N[5a]C[5a,6a])(CHHN){2|C<3>}	105.3000	0.136	6	105.3000	0.019	6	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(CH3){2|C<3>}	106.7110	0.000	1	106.7110	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	104.6675	0.370	2	104.6675	0.137	2	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CClHH){2|C<3>}	104.4080	0.000	1	104.4080	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]HH){1|C<3>,1|N<2>}	103.8690	0.000	1	103.8690	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CHHN){1|C<3>,1|N<2>}	104.3680	0.000	1	104.3680	0.000	1	105.3464	1.415	222	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[3]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[3]C[3]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	104.8710	0.000	1	104.8710	0.000	1	104.8710	0.000	1	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[4]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[4]C[4]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	105.0560	0.078	2	105.0560	0.006	2	105.0560	0.006	2	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]C[5]2Fe)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	104.6550	0.000	1	104.6550	0.000	1	104.6745	0.001	2	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]N[5]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]N[5]2C){2|C<4>,4|C<3>}	104.6940	0.000	1	104.6940	0.000	1	104.6745	0.001	2	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){2|C<3>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	105.3398	0.577	4	105.3398	0.333	4	105.3138	0.253	5	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2O){2|C<3>,2|C<4>,4|H<1>}	105.2100	0.000	1	105.2100	0.000	1	105.3138	0.253	5	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(PC[6a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(PC[6a]2H){2|C<3>}	104.8900	0.000	1	104.8900	0.000	1	104.8900	0.000	1	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:Si-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SiC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(SiC3){2|C<3>}	105.6797	0.321	6	105.6797	0.103	6	105.6797	0.103	6	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|C<4>,2|O<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<3>}	103.8870	0.000	1	103.8870	0.000	1	103.8870	0.000	1	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3){2|C<3>}	105.2100	0.000	1	105.3835	0.060	2	105.3835	0.060	2	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3){2|C<3>}	105.5570	0.000	1	105.3835	0.060	2	105.3835	0.060	2	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	105.1590	0.000	1	105.1590	0.000	1	105.6221	0.297	11	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	104.7870	0.000	1	104.7870	0.000	1	105.6221	0.297	11	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	106.0520	0.000	1	105.9688	0.120	4	105.6221	0.297	11	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	105.9410	0.418	3	105.9688	0.120	4	105.6221	0.297	11	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	105.3035	0.235	2	105.3035	0.055	2	105.6221	0.297	11	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	105.2600	0.000	1	105.2600	0.000	1	105.6221	0.297	11	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHO)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHO){2|C<3>}	105.6200	0.000	1	105.6200	0.000	1	105.6221	0.297	11	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CH3){2|C<3>}	106.5350	0.000	1	106.5350	0.000	1	105.6221	0.297	11	105.3234	1.301	257	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	105.6660	0.000	1	105.6660	0.000	1	104.3006	0.663	5	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	104.0567	0.323	3	104.0567	0.105	3	104.3006	0.663	5	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	103.6670	0.000	1	103.6670	0.000	1	104.3006	0.663	5	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	104.3945	1.470	2	104.3945	2.161	2	104.3945	2.161	2	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a]){1|C<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	104.7127	0.268	8	104.7127	0.072	8	104.7127	0.072	8	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,7|C<3>}	104.6660	0.000	1	104.6660	0.000	1	105.9560	5.000	3	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|O<2>,5|C<3>}	104.6640	0.000	1	106.6010	7.504	2	105.9560	5.000	3	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|O<2>,5|C<3>}	108.5380	0.000	1	106.6010	7.504	2	105.9560	5.000	3	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a]){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	104.9545	0.246	4	104.9545	0.060	4	104.9545	0.060	4	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a,6a]){8|C<3>}	104.8560	0.000	1	104.8560	0.000	1	104.8560	0.000	1	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|N<3>,4|C<3>}	105.1155	0.760	2	105.1155	0.578	2	104.8440	0.175	12	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|S<2>,3|C<3>}	104.9070	0.000	1	104.9070	0.000	1	104.8440	0.175	12	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,1|N<3>,3|C<3>}	104.2870	0.000	1	104.2950	0.000	3	104.8440	0.175	12	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	104.2990	0.000	2	104.2950	0.000	3	104.8440	0.175	12	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]N)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]N)(N[5a]C[5a,6a]){2|H<1>,4|C<3>}	105.0730	0.000	1	105.0730	0.000	1	104.8440	0.175	12	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	104.9668	0.163	4	104.9668	0.027	4	104.8440	0.175	12	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	105.1650	0.000	1	105.1650	0.000	1	104.8440	0.175	12	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	104.5760	0.000	1	104.5760	0.000	1	104.9977	1.394	46	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	105.4670	0.000	1	105.4670	0.000	1	104.9977	1.394	46	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|O<2>,5|C<3>}	104.8360	0.000	1	104.8360	0.000	1	104.9977	1.394	46	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	105.0350	0.000	1	105.3826	1.820	25	104.9977	1.394	46	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	105.4739	1.535	19	105.3826	1.820	25	104.9977	1.394	46	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	105.1048	0.385	5	105.3826	1.820	25	104.9977	1.394	46	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	104.4696	0.764	18	104.4696	0.583	18	104.9977	1.394	46	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	104.1390	0.000	1	104.1390	0.000	1	103.1253	1.318	3	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,1|S<2>,4|C<3>}	103.3580	0.000	1	103.3580	0.000	1	103.1253	1.318	3	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](N[5]C[5,6a]N[5])(N[5a]C[5a,6a]Cd)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|Cd<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cd<6>,1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5]C[5,6a]N[5])(N[5a]C[5a,6a]Cd)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	101.8790	0.000	1	101.8790	0.000	1	103.1253	1.318	3	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a]){1|S<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	103.4270	0.000	1	103.4270	0.000	1	103.4270	0.000	1	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	103.5360	0.083	3	103.5360	0.007	3	103.6175	0.031	4	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	103.8620	0.000	1	103.8620	0.000	1	103.6175	0.031	4	104.7846	1.208	89	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	4:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5]-4:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,3|C<3>}	109.9070	0.000	1	110.1243	0.046	3	110.1243	0.046	3	110.1243	0.046	3	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	4:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5]-4:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,1|H<1>,3|C<3>}	110.1300	0.000	1	110.1243	0.046	3	110.1243	0.046	3	110.1243	0.046	3	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	4:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5]-4:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	110.3360	0.000	1	110.1243	0.046	3	110.1243	0.046	3	110.1243	0.046	3	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	4:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5]C[5,6a]N[5]H)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5]C[5,6a]N[5]H)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	104.3160	0.000	1	104.3160	0.000	1	104.2245	0.017	2	104.2245	0.017	2	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	4:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a](C[5]N[5,6]C[5]C)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5]N[5,6]C[5]C)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<4>,2|H<1>,3|C<3>}	104.1330	0.000	1	104.1330	0.000	1	104.2245	0.017	2	104.2245	0.017	2	105.4159	6.591	2520	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5,5a]	3:3:	2:2:3:	3:2:2:	C[5,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(C[6a]C[6a]2)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5])	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[6a]N[5a]){1|C<4>,3|C<3>}	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5]){1|O<2>,3|C<3>}	99.5010	0.397	2	99.5010	0.158	2	99.5010	0.158	2	99.5010	0.158	2	101.8765	7.587	4	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5,5a]	3:3:	3:2:3:	3:2:2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(S[5]C[5])	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6a]){2|C<4>,3|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5a]C[5a])(S[5]C[5]){2|C<3>,4|H<1>}	104.1250	0.000	1	104.1250	0.000	1	104.1250	0.000	1	104.1250	0.000	1	101.8765	7.587	4	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5,5a]	3:3:	3:2:3:	3:3:2:	C[5,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:N[5,5a]-3:N[5a]-2:	N[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	N[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a]C[5a]C[6a]){1|C<4>,1|S<2>,4|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){6|C<3>}	104.3790	0.000	1	104.3790	0.000	1	104.3790	0.000	1	104.3790	0.000	1	101.8765	7.587	4	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	2:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,2|C<3>}	101.9840	0.000	1	101.8495	0.036	2	101.8495	0.036	2	107.2224	8.698	17	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	2:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|O<1>,2|C<3>}	101.7150	0.000	1	101.8495	0.036	2	101.8495	0.036	2	107.2224	8.698	17	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	2:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:O[5a]-2:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]O[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(O[5a]C[5a,6a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]O[5a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(O[5a]C[5a,6a])(N[5a]C[5a]){3|C<3>}	100.0270	0.000	1	100.0270	0.000	1	100.0270	0.000	1	107.2224	8.698	17	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	2:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[6])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6]C[6]2)	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C[6]){1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6]C[6]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	109.6470	0.000	1	109.6470	0.000	1	109.6470	0.000	1	107.2224	8.698	17	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	2:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a]){1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|F<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	108.3090	0.000	1	108.4159	0.436	13	108.4159	0.436	13	107.2224	8.698	17	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	2:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a]){1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	109.2043	0.294	3	108.4159	0.436	13	108.4159	0.436	13	107.2224	8.698	17	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	2:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a]){1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	108.1650	0.571	9	108.4159	0.436	13	108.4159	0.436	13	107.2224	8.698	17	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	2:2:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a]){3|C<3>}	101.1140	0.000	1	101.2330	0.028	2	101.2330	0.028	2	101.2330	0.028	2	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	2:2:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a]){3|C<3>}	101.3520	0.000	1	101.2330	0.028	2	101.2330	0.028	2	101.2330	0.028	2	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:2:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a]){1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	107.8343	0.272	3	107.7970	0.156	6	107.8283	0.115	9	107.8373	0.103	10	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:2:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a]){1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	107.7597	0.559	3	107.7970	0.156	6	107.8283	0.115	9	107.8373	0.103	10	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:2:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]S[5a]){1|C<3>,1|S<2>,2|N<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|N<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	107.8910	0.245	3	107.8910	0.060	3	107.8283	0.115	9	107.8373	0.103	10	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:2:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,5a])(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[6a]S[5a]){2|C<3>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,5a])(S[5a]C[5a,5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>}	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.8373	0.103	10	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|N<2>,4|C<3>}	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>}	104.0625	0.435	2	104.0625	0.189	2	103.8305	1.576	29	103.8305	1.576	29	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){5|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	103.7510	0.596	6	103.7510	0.355	6	103.8305	1.576	29	103.8305	1.576	29	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	103.6085	0.176	4	104.1214	6.739	7	103.8305	1.576	29	103.8305	1.576	29	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	102.5870	0.000	1	104.1214	6.739	7	103.8305	1.576	29	103.8305	1.576	29	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	105.9145	5.523	2	104.1214	6.739	7	103.8305	1.576	29	103.8305	1.576	29	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	103.8250	0.000	1	103.6859	0.055	14	103.8305	1.576	29	103.8305	1.576	29	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,2|H<1>}	103.8990	0.078	2	103.6859	0.055	14	103.8305	1.576	29	103.8305	1.576	29	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	103.6110	0.202	8	103.6859	0.055	14	103.8305	1.576	29	103.8305	1.576	29	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	104.1160	0.000	1	103.6859	0.055	14	103.8305	1.576	29	103.8305	1.576	29	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,2|H<1>}	103.4880	0.003	2	103.6859	0.055	14	103.8305	1.576	29	103.8305	1.576	29	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,5a]	3:3:	3:3:2:	3:3:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a,5a]-3:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]C[5a]2)	C[5a](C[5a]N[5a,5a]C[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a,5a])	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]C[5a]2){1|B<4>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]C[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a,5a]){1|B<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(N[5a]C[5a]){1|H<1>,2|F<1>,4|C<3>}	103.0630	0.000	1	103.0630	0.000	1	103.0630	0.000	1	103.0630	0.000	1	105.3859	7.099	59	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6]	3:3:	2:2:3:	3:2:2:	C[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|C<4>,3|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|C<3>,2|C<4>,2|N<3>}	102.8405	0.063	2	102.8405	0.004	2	102.8405	0.004	2	104.9190	12.962	3	104.5338	2.717	23	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6]	3:3:	2:2:3:	3:2:2:	C[5a,6]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[6a]S[5a]){1|C<4>,3|C<3>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a])(O[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	104.9190	12.962	3	104.5338	2.717	23	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6]	3:3:	2:2:3:	3:2:3:	C[5a,6]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a]){1|O<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	103.9110	0.260	2	103.9110	0.068	2	103.9110	0.068	2	103.9110	0.068	2	104.5338	2.717	23	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6]	3:3:	2:2:3:	3:3:2:	C[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	101.6390	0.000	1	101.6390	0.000	1	101.6390	0.000	1	101.6390	0.000	1	104.5338	2.717	23	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6]	3:3:	3:2:1:	3:2:3:	C[5a,6]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	103.5813	0.538	7	103.5813	0.290	7	103.9627	0.616	10	103.9627	0.616	10	104.5338	2.717	23	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6]	3:3:	3:2:1:	3:2:3:	C[5a,6]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|O<1>,2|N<2>}	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	104.8527	0.453	3	104.8527	0.205	3	103.9627	0.616	10	103.9627	0.616	10	104.5338	2.717	23	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6]	3:3:	3:2:1:	3:3:2:	C[5a,6]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]N[5a,6]O)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<4>,1|O<1>,2|N<3>}	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]N[5a,6]O)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	104.8000	0.000	1	104.8000	0.000	1	104.8000	0.000	1	104.8000	0.000	1	104.5338	2.717	23	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6]	3:3:	3:2:3:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	N[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	106.4530	0.000	1	106.4530	0.000	1	106.4530	0.000	1	106.4530	0.000	1	104.5338	2.717	23	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6]	3:3:	3:2:3:	3:4:2:	C[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HO)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HO)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.0260	0.000	1	106.0260	0.000	1	105.4793	0.200	4	105.4793	0.200	4	104.5338	2.717	23	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6]	3:3:	3:2:3:	3:4:2:	C[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CC)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){3|C<3>,4|C<4>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CC)(N[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	105.6620	0.000	1	105.6620	0.000	1	105.4793	0.200	4	105.4793	0.200	4	104.5338	2.717	23	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6]	3:3:	3:2:3:	3:4:2:	C[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[6]CH)(N[5a]C[5a])	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[6]CH)(N[5a]C[5a]){2|C<3>,4|H<1>}	105.1145	0.042	2	105.1145	0.002	2	105.4793	0.200	4	105.4793	0.200	4	104.5338	2.717	23	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[5a]-3:	N[5a]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:C[6]-2:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a,6]Zn)(C[6]C[6]N[6])(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C[6]){1|Zn<5>,1|N<3>,3|C<3>}	C[5a](N[5a]C[5a,6]Zn)(C[6]C[6]N[6])(N[5a]C[5a,6]){1|C<2>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]){1|Zn<5>,2|C<3>,2|H<1>}	107.2620	0.000	1	107.2620	0.000	1	107.2620	0.000	1	107.2620	0.000	1	104.5338	2.717	23	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	103.2463	0.047	3	103.1898	0.014	4	103.1898	0.014	4	106.1548	13.204	9	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	103.0200	0.000	1	103.1898	0.014	4	103.1898	0.014	4	106.1548	13.204	9	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	N[5a](C[5a,6a]N[5a,6a]S[6a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|O<1>,3|C<3>}	102.7480	0.000	1	102.7480	0.000	1	102.7480	0.000	1	106.1548	13.204	9	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]S[5a]){4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	110.3990	0.000	1	110.2495	0.045	2	110.2495	0.045	2	106.1548	13.204	9	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]S[5a]){4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	110.1000	0.000	1	110.2495	0.045	2	110.2495	0.045	2	106.1548	13.204	9	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N[6]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]N[6])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]N[6]){2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	109.6935	0.436	2	109.6935	0.190	2	109.6935	0.190	2	106.1548	13.204	9	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5a]C[5a]2){1|S<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	104.5870	0.000	1	104.5870	0.000	1	104.5870	0.000	1	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	104.7960	0.165	3	104.7337	0.211	9	104.7337	0.211	9	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	104.1655	0.409	2	104.7337	0.211	9	104.7337	0.211	9	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|C<4>}	104.5090	0.000	1	104.7337	0.211	9	104.7337	0.211	9	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	105.1250	0.389	3	104.7337	0.211	9	104.7337	0.211	9	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:N[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N[5])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N[5]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	102.1360	0.000	1	102.1360	0.000	1	102.1360	0.000	1	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2){1|C<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.8440	0.000	1	110.5101	0.191	7	110.5101	0.191	7	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.9385	0.145	2	110.5101	0.191	7	110.5101	0.191	7	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.2080	0.099	2	110.5101	0.191	7	110.5101	0.191	7	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5a]C[5a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.7170	0.192	2	110.5101	0.191	7	110.5101	0.191	7	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	111.0310	0.000	1	111.0310	0.000	1	111.0310	0.000	1	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	111.0715	0.408	2	111.1143	0.232	68	111.1079	0.234	72	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.4675	0.360	2	111.1143	0.232	68	111.1079	0.234	72	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	112.2190	0.000	1	111.1143	0.232	68	111.1079	0.234	72	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.1220	0.000	1	111.1143	0.232	68	111.1079	0.234	72	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.5785	0.239	4	111.1143	0.232	68	111.1079	0.234	72	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	111.1485	0.394	57	111.1143	0.232	68	111.1079	0.234	72	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|S<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	112.5790	0.000	1	111.1143	0.232	68	111.1079	0.234	72	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|N<2>,4|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]){5|C<3>}	111.4475	0.235	2	111.4475	0.055	2	111.1079	0.234	72	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	110.8160	0.000	1	110.5490	0.143	2	111.1079	0.234	72	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	110.2820	0.000	1	110.5490	0.143	2	111.1079	0.234	72	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.8030	0.000	1	109.7895	0.000	2	109.7895	0.000	2	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	109.7760	0.000	1	109.7895	0.000	2	109.7895	0.000	2	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[6])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N[6]){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]N[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	110.2425	0.407	2	110.2425	0.165	2	110.2425	0.165	2	110.2501	4.743	95	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	2:2:4:	3:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6]-4:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C[6])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]S[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:D-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]D)	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(D)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]D){1|C<4>,1|N<3>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(D){1|C<3>,1|C<4>,1|D<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|D<1>}	104.1330	0.000	1	104.1330	0.000	1	104.1330	0.000	1	103.9933	0.230	50	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	103.9090	0.030	2	103.9090	0.001	2	103.9904	0.234	49	103.9933	0.230	50	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	103.3060	0.195	2	103.5295	0.140	4	103.9904	0.234	49	103.9933	0.230	50	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	103.7530	0.427	2	103.5295	0.140	4	103.9904	0.234	49	103.9933	0.230	50	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	103.8183	0.263	17	103.8184	0.065	18	103.9904	0.234	49	103.9933	0.230	50	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,3|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	103.8200	0.000	1	103.8184	0.065	18	103.9904	0.234	49	103.9933	0.230	50	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	104.3703	0.314	14	104.3506	0.097	15	103.9904	0.234	49	103.9933	0.230	50	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	104.0750	0.000	1	104.3506	0.097	15	103.9904	0.234	49	103.9933	0.230	50	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	104.1950	0.000	1	104.1950	0.000	1	103.9904	0.234	49	103.9933	0.230	50	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	103.3637	0.136	3	103.3637	0.019	3	103.9904	0.234	49	103.9933	0.230	50	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	104.2197	0.831	6	104.2197	0.690	6	103.9904	0.234	49	103.9933	0.230	50	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	103.9090	0.000	1	103.9090	0.000	1	103.9583	0.046	3	108.7344	11.138	10	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a]){1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){4|C<3>}	103.9830	0.298	2	103.9830	0.089	2	103.9583	0.046	3	108.7344	11.138	10	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,5a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,5a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.1420	0.000	1	110.1420	0.000	1	110.4838	0.182	4	108.7344	11.138	10	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,6]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.9250	0.000	1	110.9250	0.000	1	110.4838	0.182	4	108.7344	11.138	10	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.7730	0.000	1	110.7730	0.000	1	110.4838	0.182	4	108.7344	11.138	10	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])	C[5a](C[5a]N[5a,6]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,6]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.0950	0.000	1	110.0950	0.000	1	110.4838	0.182	4	108.7344	11.138	10	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](C[6a]C[6,6,6a]C[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](C[6a]C[6,6,6a]C[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.9190	0.000	1	110.9190	0.000	1	111.1780	0.509	3	108.7344	11.138	10	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](C[6a]C[6,6a]C[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](C[6a]C[6,6a]C[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	110.6300	0.000	1	110.6300	0.000	1	111.1780	0.509	3	108.7344	11.138	10	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	111.9850	0.000	1	111.9850	0.000	1	111.1780	0.509	3	108.7344	11.138	10	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	105.4415	0.095	2	105.4415	0.009	2	105.9371	0.209	17	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	106.1660	0.318	2	106.1660	0.101	2	105.9371	0.209	17	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	106.2190	0.226	9	106.1283	0.084	11	105.9371	0.209	17	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	105.7200	0.168	2	106.1283	0.084	11	105.9371	0.209	17	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	104.8630	0.000	1	104.8630	0.000	1	105.9371	0.209	17	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	105.4420	0.000	1	105.4420	0.000	1	105.9371	0.209	17	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	103.6410	0.000	1	103.6410	0.000	1	103.6410	0.000	1	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	105.2570	0.000	1	105.2570	0.000	1	105.4210	0.254	3	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[5a]C[5a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	105.5030	0.684	2	105.5030	0.469	2	105.4210	0.254	3	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	104.2180	0.000	1	104.8650	0.837	2	105.1840	2.411	9	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	105.5120	0.000	1	104.8650	0.837	2	105.1840	2.411	9	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|Tb<12>,1|H<1>,1|O<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	109.0810	0.000	1	105.4728	3.309	6	105.1840	2.411	9	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	104.4430	0.000	1	105.4728	3.309	6	105.1840	2.411	9	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	104.8282	0.518	4	105.4728	3.309	6	105.1840	2.411	9	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|Mn<6>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	104.0890	0.000	1	104.0890	0.000	1	105.1840	2.411	9	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.7455	0.414	2	105.7455	0.171	2	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	104.5220	0.000	1	104.5220	0.000	1	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	104.3298	0.665	17	104.3298	0.442	17	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	105.4505	0.144	2	105.4505	0.021	2	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.9265	0.448	4	105.7218	0.128	10	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.5853	0.233	6	105.7218	0.128	10	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]){3|C<3>}	104.5590	0.000	1	104.5590	0.000	1	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	104.9850	0.276	2	104.9850	0.076	2	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.8075	0.310	2	105.8075	0.096	2	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	105.1920	0.000	1	105.4222	0.362	55	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	105.5397	0.605	6	105.4222	0.362	55	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.5700	0.000	1	105.4222	0.362	55	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	104.6195	0.291	2	105.4222	0.362	55	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	104.9700	0.000	1	105.4222	0.362	55	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	104.6480	0.093	2	105.4222	0.362	55	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	105.1355	0.364	2	105.4222	0.362	55	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	105.6465	0.577	8	105.4222	0.362	55	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	107.0440	0.000	1	105.4222	0.362	55	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	105.5087	0.482	27	105.4222	0.362	55	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.7735	0.334	2	105.4222	0.362	55	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	104.4735	0.045	2	105.4222	0.362	55	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	105.8440	0.000	1	105.8440	0.000	1	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	104.9570	0.000	1	104.9570	0.000	1	105.2437	0.528	94	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	102.9697	0.693	3	102.9206	0.272	5	102.9206	0.272	5	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[5]C[5]2){1|Se<1>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	102.8470	0.332	2	102.9206	0.272	5	102.9206	0.272	5	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N[6]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6]){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[6]C[6]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	103.9290	0.000	1	103.9290	0.000	1	103.9290	0.000	1	105.2225	0.875	130	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:4:	3:2:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-4:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]C[5]2Fe)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]C[5]2Fe){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	105.4120	0.000	1	105.4120	0.000	1	105.4120	0.000	1	105.4120	0.000	1	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]C[5]2Fe)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]C[5]2Fe){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	105.4500	0.000	1	105.4500	0.000	1	105.4500	0.000	1	105.4500	0.000	1	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	105.2940	0.000	1	105.2940	0.000	1	105.2013	0.006	3	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.1550	0.000	2	105.1550	0.000	2	105.2013	0.006	3	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	104.2590	0.000	1	104.2590	0.000	1	104.3609	0.067	8	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]O[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]O[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	103.8300	0.000	1	103.8300	0.000	1	104.3609	0.067	8	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	104.4416	0.152	5	104.4416	0.023	5	104.3609	0.067	8	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|B<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	104.5900	0.000	1	104.5900	0.000	1	104.3609	0.067	8	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	103.1230	0.000	1	103.1230	0.000	1	103.1230	0.000	1	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)(N[5a]C[5a,6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	105.5160	0.000	1	105.5160	0.000	1	105.5160	0.000	1	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	104.6103	0.414	12	104.6103	0.171	12	104.6103	0.171	12	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.0840	0.000	1	105.0840	0.000	1	104.6748	0.414	10	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	104.4355	0.049	2	104.4355	0.002	2	104.6748	0.414	10	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6,6a]C[6a])(N[5a]C[5a,6a]Al)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|Al<4>,1|H<1>,4|C<3>}	C[5a](C[6a]C[6,6a]C[6a])(N[5a]C[5a,6a]Al)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Al<4>,2|C<3>,2|H<1>}	103.0380	0.000	1	103.0380	0.000	1	104.6748	0.414	10	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	104.8005	0.026	2	104.8005	0.001	2	104.6748	0.414	10	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.7610	0.000	1	104.7610	0.000	1	104.6748	0.414	10	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	105.0050	0.018	2	105.0050	0.000	2	104.6748	0.414	10	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]S[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|N<2>}	C[5a](C[6a]C[6a]S[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	105.3830	0.000	1	105.3830	0.000	1	104.6748	0.414	10	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	104.1400	0.092	2	104.1400	0.008	2	104.1400	0.008	2	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.9095	0.641	2	104.9095	0.411	2	104.9095	0.411	2	104.5975	0.309	39	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	4:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5,5]-4:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5]O[5a])	C[5a](C[5,5]C[5,6a]N[5,5]C[5])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5]O[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5,5]C[5,6a]N[5,5]C[5])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){2|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	103.9160	0.000	1	103.9160	0.000	1	103.9160	0.000	1	107.4277	11.053	7	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	4:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5,6]-4:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]O[5a])	C[5a](C[5,6]C[5,5,6]C[5,6]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]O[5a]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5,6]C[5,5,6]C[5,6]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a]){2|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	104.7900	0.000	1	104.7900	0.000	1	104.7900	0.000	1	107.4277	11.053	7	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	4:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5]-4:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])	C[5a](C[5]C[5]O[5]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[5a](C[5]C[5]O[5]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	103.4170	0.000	1	103.4170	0.000	1	103.4170	0.000	1	107.4277	11.053	7	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	4:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5]-4:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	109.0905	1.029	2	109.9677	1.712	4	109.9677	1.712	4	107.4277	11.053	7	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	4:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5]-4:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	110.8450	1.000	2	109.9677	1.712	4	109.9677	1.712	4	107.4277	11.053	7	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	4:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5,5,6]-4:N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5,5,6]N[5a])	C[5a](C[5,5,6]C[5,5,6]C[5,6]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5,5,6]N[5a]){1|H<1>,2|C<3>,4|C<4>}	C[5a](C[5,5,6]C[5,5,6]C[5,6]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	103.0070	0.000	1	103.0070	0.000	1	103.0070	0.000	1	103.0070	0.000	1	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	6:2:2:	3:3:2:	C[5a]-3:C[5a,6a]-3:	B[5x3,5x5,20x6]-6:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]B[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a]B[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,2|C<3>,5|B<6>}	C[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(N[5a]C[5a,6a])(S[5a]C[5a,6a]){2|C<3>,2|C<6>,3|B<6>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|B<6>,1|C<3>,2|H<1>}	111.2805	0.194	2	111.2805	0.038	2	111.2805	0.038	2	110.6213	1.322	3	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a,6a]	3:3:	6:2:2:	3:3:2:	C[5a]-3:C[5a,6a]-3:	C[5x3,5x5,20x6]-6:N[5a]-2:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a]C[5x3,5x5,20x6]S[5a])(C[5a,6a]C[5a,6a]C[6a]){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){2|C<3>,5|B<6>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<6>,2|H<1>}	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	110.6213	1.322	3	106.5784	8.663	347	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:Cl-1:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a]N[5a]Cl)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(Cl)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(Cl)	N[5a](C[5a]N[5a]Cl)2{1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(Cl){1|Cl<1>,1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(Cl){1|Cl<1>}	101.1240	0.000	1	101.1240	0.000	1	101.1240	0.000	1	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]N[5a]Br)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]N[5a]Br)(C[5a]N[5a]H){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|Br<1>,1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(Br){1|H<1>}	101.4860	0.000	1	101.4860	0.000	1	101.4860	0.000	1	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2{1|B<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|B<4>,1|H<1>}	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	101.4185	0.205	6	101.4185	0.042	6	102.2197	1.129	174	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2{1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	101.9941	0.359	23	102.2487	1.157	166	102.2197	1.129	174	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2{1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	102.2897	1.146	143	102.2487	1.157	166	102.2197	1.129	174	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2{1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|N<2>}	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	101.8500	0.000	1	101.8500	0.000	1	102.2197	1.129	174	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)2{1|S<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|S<4>}	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(H){1|H<1>}	102.5750	0.000	1	102.5750	0.000	1	102.2197	1.129	174	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:Br-1:	C[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]S[5a]Br)	C[5a](N[5a]C[5a])(S[5a]C[5a])(Br)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]S[5a]Br){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(Br){1|Br<1>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br){1|Br<1>}	108.7625	0.237	2	108.7625	0.056	2	108.7625	0.056	2	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:Br-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]Br)(C[5a]C[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(Br)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]Br)(C[5a]C[5a]H){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(Br){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Br<1>}	108.5740	0.000	1	108.5740	0.000	1	108.5740	0.000	1	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:Cl-1:	C[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[5a]S[5a]Cl)	C[5a](N[5a]C[5a])(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]S[5a]Cl){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(Cl){1|Cl<1>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Cl){1|Cl<1>}	108.1450	0.000	1	108.1450	0.000	1	108.1450	0.000	1	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:Cl-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(Cl){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|Cl<1>}	108.6191	0.435	16	108.6191	0.189	16	108.6191	0.189	16	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.7760	0.253	2	109.7760	0.064	2	109.7760	0.064	2	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:I-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]I)	C[5a](N[5a]C[5a])(S[5a]C[5a])(I)	C[5a](C[5a]S[5a]I)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]I){1|I<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(I){1|H<1>,1|I<1>}	C[5a](C[5a]S[5a]I)(N[5a]C[5a])(H){1|I<1>}	110.0140	0.000	1	110.0140	0.000	1	110.0140	0.000	1	102.9676	5.455	199	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC){1|H<1>}	102.6320	0.000	1	102.6320	0.000	1	103.0550	0.358	2	102.7097	0.537	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|H<1>}	103.4780	0.000	1	103.4780	0.000	1	103.0550	0.358	2	102.7097	0.537	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|S<2>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC){1|H<1>}	102.0190	0.000	1	102.0190	0.000	1	102.0190	0.000	1	102.7097	0.537	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCN){1|H<1>}	103.2680	0.000	1	103.2680	0.000	1	103.2680	0.000	1	103.6090	4.632	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH){1|H<1>}	101.2820	0.000	1	101.2820	0.000	1	103.7227	6.870	3	103.6090	4.632	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|H<1>}	106.4930	0.000	1	106.4930	0.000	1	103.7227	6.870	3	103.6090	4.632	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|S<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>,1|S<4>}	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(NHH){1|H<1>}	103.3930	0.000	1	103.3930	0.000	1	103.7227	6.870	3	103.6090	4.632	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|H<1>}	110.4076	0.463	5	110.4076	0.214	5	110.1490	0.521	7	110.1490	0.521	7	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	109.5025	1.049	2	109.5025	1.100	2	110.1490	0.521	7	110.1490	0.521	7	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:O-2:	N[5a]-2:O[5a]-2:N-2:	N[5a](C[5a]N[5a]O)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(N[5a]O[5a])(OC)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC)	N[5a](C[5a]N[5a]O)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(N[5a]O[5a])(OC){1|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC){1|O<2>}	101.9650	0.000	1	101.9650	0.000	1	101.9650	0.000	1	105.6030	26.470	2	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:S-2:	N[5a]-2:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[5a]S[5a]S)	C[5a](N[5a]C[5a])(S[5a]N[5a])(SSn)	C[5a](N[5a]C[5a])(N[5a]S[5a])(SC)	N[5a](C[5a]N[5a]S)(C[5a]S[5a]S)	C[5a](N[5a]C[5a])(S[5a]N[5a])(SSn){1|S<2>}	C[5a](N[5a]C[5a])(N[5a]S[5a])(SC){1|S<2>}	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	105.6030	26.470	2	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<2>}	102.1430	0.395	2	102.1430	0.156	2	102.7838	1.400	5	106.4519	11.869	27	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<2>}	101.5730	0.000	1	101.5730	0.000	1	102.7838	1.400	5	106.4519	11.869	27	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	C[5a](N[5a]N[5a]Mn)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|Mn<6>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|Mn<6>,1|H<1>}	C[5a](N[5a]N[5a]Mn)(N[5a]C[5a])(H){1|N<2>}	104.1870	0.000	1	104.0300	0.049	2	102.7838	1.400	5	106.4519	11.869	27	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	C[5a](N[5a]N[5a]Mn)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|Mn<7>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|Mn<7>,1|H<1>}	C[5a](N[5a]N[5a]Mn)(N[5a]C[5a])(H){1|N<2>}	103.8730	0.000	1	104.0300	0.049	2	102.7838	1.400	5	106.4519	11.869	27	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	101.9580	0.266	2	101.9580	0.071	2	102.2658	0.143	6	106.4519	11.869	27	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|S<2>}	102.3100	0.327	3	102.3100	0.107	3	102.2658	0.143	6	106.4519	11.869	27	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS){2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|S<2>}	102.7490	0.000	1	102.7490	0.000	1	102.2658	0.143	6	106.4519	11.869	27	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:N-2:	N[5a]-3:N[5a]-2:O-1:	N[5a](C[5a]N[5a]O)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NH)	C[5a](N[5a]O[5a]S)(N[5a]C[5a])(O)	N[5a](C[5a]N[5a]O)(C[5a]O[5a]N){1|S<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NH){1|O<1>,1|S<4>}	C[5a](N[5a]O[5a]S)(N[5a]C[5a])(O){1|N<2>}	106.6950	0.000	1	106.6950	0.000	1	106.6950	0.000	1	106.4519	11.869	27	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<2>}	109.1351	0.659	10	109.1351	0.434	10	109.2542	0.392	13	106.4519	11.869	27	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|P<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|H<1>,1|P<3>}	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(H){1|N<2>}	109.9620	0.000	1	109.9620	0.000	1	109.2542	0.392	13	106.4519	11.869	27	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<2>}	109.4955	0.192	2	109.4955	0.037	2	109.2542	0.392	13	106.4519	11.869	27	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:S-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]S)	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]S){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC[5a]){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|S<2>}	109.8445	0.045	2	109.8445	0.002	2	109.8445	0.002	2	106.4519	11.869	27	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC)	N[5a](C[5a]N[5a]N)2{1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){1|H<1>,1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC){1|N<2>}	102.6150	0.000	1	102.6150	0.000	1	101.4863	3.427	3	101.4863	3.427	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[5a])	N[5a](C[5a]N[5a]N)2{1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC[5a]){1|H<1>,1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[5a]){1|N<2>}	102.4940	0.000	1	102.4940	0.000	1	101.4863	3.427	3	101.4863	3.427	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)2{1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|C<4>,1|N<2>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<2>}	99.3498	0.000	1	99.3498	0.000	1	101.4863	3.427	3	101.4863	3.427	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]N[5a]C)2{1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC){1|C<3>,1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CNO){1|C<2>}	102.7640	0.041	2	102.7640	0.002	2	102.7640	0.002	2	103.6325	6.958	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2{1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|C<3>,1|N<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH){3|N<2>}	102.4200	0.000	1	102.4200	0.000	1	101.8205	0.719	2	103.6325	6.958	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)2{1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H){1|N<2>}	101.2210	0.000	1	101.2210	0.000	1	101.8205	0.719	2	103.6325	6.958	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<3>,1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|S<2>}	103.0260	0.000	1	103.0260	0.000	1	102.6150	0.253	5	103.6325	6.958	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH){1|S<2>}	102.5290	0.000	1	102.5290	0.000	1	102.6150	0.253	5	103.6325	6.958	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|S<2>}	103.1880	0.000	1	103.1880	0.000	1	102.6150	0.253	5	103.6325	6.958	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]S){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|S<2>}	102.1660	0.320	2	102.1660	0.102	2	102.6150	0.253	5	103.6325	6.958	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:S-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]S[5a]S)	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]N)(C[5a]S[5a]S){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC){1|C<3>,1|N<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(NCH){1|S<2>}	108.8570	0.064	2	108.8570	0.004	2	108.8570	0.004	2	103.6325	6.958	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|S<2>}	102.9270	0.000	1	102.9270	0.000	1	102.9270	0.000	1	110.9669	10.251	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	113.9375	4.750	2	113.9375	22.559	2	111.6978	4.225	11	110.9669	10.251	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS){1|N<2>}	111.5425	0.289	2	111.5425	0.084	2	111.6978	4.225	11	110.9669	10.251	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3){1|N<2>}	110.8060	0.000	1	110.8060	0.000	1	111.6978	4.225	11	110.9669	10.251	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NH){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	112.5850	0.000	1	112.5850	0.000	1	111.6978	4.225	11	110.9669	10.251	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|N<2>}	110.1645	0.237	2	110.1645	0.056	2	111.6978	4.225	11	110.9669	10.251	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	110.0290	0.000	1	110.0290	0.000	1	111.6978	4.225	11	110.9669	10.251	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|N<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){1|C<4>,1|N<2>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3){1|N<2>}	111.9835	0.483	2	111.9835	0.233	2	111.6978	4.225	11	110.9669	10.251	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-2:O[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(C[5a]O[5a]H)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CNN)	C[5a](N[5a]C[5a])(O[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]H)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CNN){1|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(H){1|C<3>}	102.2905	0.053	2	102.2905	0.003	2	102.2905	0.003	2	102.2905	0.003	2	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:N-3:	N[5a]-2:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	C[5a](N[5a]C[5a])(N[5a]O[5a])(NN)	N[5a](C[5a]N[5a]N)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|N<2>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(NN){1|N<3>}	101.6400	0.107	2	101.6400	0.012	2	101.6400	0.012	2	101.6400	0.012	2	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6]-3:	N[5a]-2:S[5a]-2:C[6]-3:	N[5a](C[5a]N[5a]C[6])(C[5a]S[5a]C[6])	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2)	C[5a](N[5a]C[5a])(S[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(C[5a]S[5a]C[6]){4|C<3>}	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	106.9718	9.804	5	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(N[5a]O[5a])(NCH)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(N[5a]O[5a])(NCH){1|N<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|N<3>}	101.3820	0.000	1	101.3820	0.000	1	101.3820	0.000	1	106.9718	9.804	5	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(N[5a]S[5a])(NC[6a]H)	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(N[5a]S[5a])(NC[6a]H){1|N<3>}	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H){1|N<3>}	108.2045	0.186	2	108.2045	0.035	2	108.2867	0.038	3	106.9718	9.804	5	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(N[5a]S[5a])(NHH)	C[5a](N[5a]C[5a])(S[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(N[5a]S[5a])(NHH){1|N<3>}	C[5a](N[5a]C[5a])(S[5a]N[5a])(NHH){1|N<3>}	108.4510	0.000	1	108.4510	0.000	1	108.2867	0.038	3	106.9718	9.804	5	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CNN)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CNN){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	102.8950	0.000	1	102.8950	0.000	1	102.8950	0.000	1	107.1401	10.100	8	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N[6]-3:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]N[5a]N[6])(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(N[6]C[6]2)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CFFH)	N[5a](C[5a]N[5a]N[6])(C[5a]O[5a]C){2|C<4>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(N[6]C[6]2){3|C<4>,4|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CFFH){1|N<3>}	101.2070	0.000	1	101.2070	0.000	1	101.2070	0.000	1	107.1401	10.100	8	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H)	C[5a](N[5a]C[5a])(N[5a]S[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]S[5a])(CCHH){1|N<3>}	108.8365	0.204	6	108.8365	0.042	6	108.8365	0.042	6	107.1401	10.100	8	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCH){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	102.6205	0.053	2	102.6205	0.003	2	102.2245	0.415	14	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO){1|C<3>,1|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	102.4300	0.154	3	102.4300	0.024	3	102.2245	0.415	14	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO){2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	102.0228	0.805	8	102.0228	0.648	8	102.2245	0.415	14	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(COO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(COO){2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	102.4300	0.000	1	102.4300	0.000	1	102.2245	0.415	14	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[5]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	103.9005	0.482	2	102.7572	2.589	4	102.7572	2.589	4	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[5]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H){1|H<1>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	101.6140	1.519	2	102.7572	2.589	4	102.7572	2.589	4	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NFeN)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NFeN){2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	102.1660	0.000	1	102.1660	0.000	1	101.3704	0.711	17	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	102.8020	0.000	1	102.8020	0.000	1	101.3704	0.711	17	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	103.0260	0.000	1	103.0260	0.000	1	101.3704	0.711	17	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	100.8723	0.196	3	100.9754	0.045	5	101.3704	0.711	17	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	101.1300	0.158	2	100.9754	0.045	5	101.3704	0.711	17	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	100.8597	0.516	7	100.8597	0.266	7	101.3704	0.711	17	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H){1|N<3>}	102.2040	0.429	2	102.2040	0.184	2	101.3704	0.711	17	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){3|C<3>}	104.0630	0.000	1	104.0630	0.000	1	104.0630	0.000	1	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]N){1|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH){1|C<3>,1|H<1>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|N<3>}	103.5420	0.000	1	103.5420	0.000	1	103.5420	0.000	1	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCO)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCO){1|Br<1>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(Br){1|C<3>}	108.8220	0.000	1	108.8220	0.000	1	109.3190	0.494	2	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]Sn)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]Sn){1|Br<1>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(Br){1|C<3>}	109.8160	0.000	1	109.8160	0.000	1	109.3190	0.494	2	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCN)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCN){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.6520	0.356	3	110.6520	0.126	3	110.0084	0.355	8	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCO)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCO){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	109.6222	0.246	5	109.6222	0.061	5	110.0084	0.355	8	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(C[5]C[5]2){2|C<3>,4|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	109.7640	0.728	2	109.7640	0.530	2	109.7640	0.530	2	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]S[5a]N){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|Br<1>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Br){1|N<3>}	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|Br<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|Br<1>,1|H<1>}	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(H){1|N<3>}	110.5940	0.000	1	110.5940	0.000	1	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	109.4390	0.180	2	109.4915	0.283	26	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	109.4958	0.553	24	109.4915	0.283	26	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	C[5a](C[5a]S[5a]Cl)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|Cl<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|Cl<1>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(N[5a]C[5a])(H){1|N<3>}	109.9800	0.000	1	109.9800	0.000	1	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<3>}	109.8193	0.848	34	109.8193	0.719	34	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|N<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|H<1>,1|N<3>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(H){1|N<3>}	109.5154	0.421	8	109.5154	0.177	8	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCN)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCN){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<3>}	109.3335	0.045	2	109.3335	0.002	2	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[5]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[5]H){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<3>}	110.0660	0.000	1	110.0660	0.000	1	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[5a]H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	109.9325	0.849	2	109.9325	0.721	2	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	110.1700	0.000	1	110.1700	0.000	1	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<3>}	110.0870	0.099	2	110.0870	0.010	2	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	113.3450	2.176	3	113.3450	4.736	3	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<3>}	110.1467	0.370	4	110.1467	0.137	4	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|N<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|H<1>,1|N<3>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(H){1|N<3>}	109.7320	0.000	1	109.7320	0.000	1	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|P<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|H<1>,1|P<3>}	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(H){1|N<3>}	110.1387	0.242	3	110.1387	0.059	3	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|S<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|H<1>,1|S<4>}	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(H){1|N<3>}	110.4930	0.000	1	110.4930	0.000	1	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHN)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHN){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<3>}	108.6357	0.273	3	108.6357	0.074	3	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHP)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHP){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<3>}	110.1600	0.000	1	110.1600	0.000	1	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHS)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHS){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<3>}	114.6850	0.000	1	114.6850	0.000	1	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NPtC)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NPtC){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<3>}	110.8800	0.000	1	110.8800	0.000	1	109.8872	1.211	96	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<3>}	109.7710	0.000	1	109.7710	0.000	1	109.2983	0.197	3	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H){1|N<2>,2|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|N<2>,2|C<4>,5|H<1>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(H){1|N<3>}	109.0620	0.242	2	109.0620	0.058	2	109.2983	0.197	3	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H){1|C<2>,2|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){1|C<2>,2|C<4>,5|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	110.1800	0.000	1	109.7403	0.187	3	109.7403	0.187	3	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	109.7250	0.000	1	109.7403	0.187	3	109.7403	0.187	3	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|N<3>}	109.3160	0.000	1	109.7403	0.187	3	109.7403	0.187	3	107.9368	12.592	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)2{1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<2>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<3>}	101.9840	0.674	6	101.9840	0.454	6	101.9840	0.454	6	103.2504	9.134	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(OC)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|O<2>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(OC){1|N<3>}	100.0790	0.000	1	100.0790	0.000	1	100.0790	0.000	1	103.2504	9.134	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|C<4>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	103.0470	0.000	1	103.0470	0.000	1	103.0470	0.000	1	103.2504	9.134	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(OC)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C){1|H<1>,1|O<2>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(OC){1|N<3>}	108.7370	0.078	2	108.7370	0.006	2	108.7370	0.006	2	103.2504	9.134	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCN)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]N[5a]C)2{1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCN){1|C<3>,1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCN){1|C<3>}	102.9300	0.000	1	102.9300	0.000	1	101.7850	1.007	5	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCN)	C[5a](N[5a]N[5a]Pt)(N[5a]C[5a])(CCN)	N[5a](C[5a]N[5a]C)2{1|Pt<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCN){1|Pt<4>,1|C<3>}	C[5a](N[5a]N[5a]Pt)(N[5a]C[5a])(CCN){1|C<3>}	101.1833	0.773	3	101.1833	0.598	3	101.7850	1.007	5	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNN)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]C)2{1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNN){1|C<3>,1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CNN){1|C<3>}	102.4450	0.000	1	102.4450	0.000	1	101.7850	1.007	5	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	101.8380	0.000	1	101.8380	0.000	1	101.8380	0.000	1	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[5]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N){1|H<1>,2|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	102.2540	0.018	2	102.2540	0.000	2	102.2540	0.000	2	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	102.4700	0.000	1	102.4700	0.000	1	102.4700	0.000	1	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NCH)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2{1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NCH){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|N<3>}	102.3320	0.000	1	102.3320	0.000	1	100.8370	4.463	19	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2{1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<3>,1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|N<3>}	103.4110	0.000	1	103.4110	0.000	1	100.8370	4.463	19	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2{1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|N<3>}	104.8930	2.878	2	104.8930	8.282	2	100.8370	4.463	19	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)2{1|B<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|B<4>,1|N<3>}	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(NOO){1|N<3>}	98.8098	0.243	6	98.8098	0.059	6	100.8370	4.463	19	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2{1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|N<3>}	101.3945	0.025	2	101.3945	0.001	2	100.8370	4.463	19	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHN)	N[5a](C[5a]N[5a]N)2{1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHN){1|N<3>}	102.2260	0.000	1	102.2260	0.000	1	100.8370	4.463	19	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)2{1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO){1|N<3>}	99.9565	0.082	3	99.9565	0.007	3	100.8370	4.463	19	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]N[5a]N)2{1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH){1|N<3>}	100.6155	0.193	2	100.6155	0.037	2	100.8370	4.463	19	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)2{1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|N<3>}	101.4000	0.000	1	101.4000	0.000	1	100.8370	4.463	19	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCH)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CHO)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCH){1|C<3>,1|C<4>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CHO){1|C<3>}	104.4250	0.000	1	104.4250	0.000	1	104.4250	0.000	1	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(COO)	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(COO){1|C<3>}	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO){1|N<3>}	109.5265	0.141	2	109.5265	0.020	2	109.8812	0.178	8	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO){1|N<3>}	110.2090	0.000	1	110.2090	0.000	1	109.8812	0.178	8	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCN){1|N<3>}	109.9576	0.458	5	109.9576	0.210	5	109.8812	0.178	8	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(NHN)	N[5a](C[5a]C[5a]N)(C[5a]S[5a]N){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){1|C<3>,1|N<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(NHN){1|N<3>}	109.6860	0.102	2	109.6860	0.010	2	109.6860	0.010	2	103.6709	17.714	40	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|N<3>}	101.2955	0.261	2	101.2955	0.068	2	101.2955	0.068	2	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]C){3|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CH3){3|C<3>}	105.4010	0.000	1	105.4010	0.000	1	105.4010	0.000	1	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCN)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCN){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	109.9390	0.000	1	109.9390	0.000	1	110.7317	0.519	3	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCrO)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCrO){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	111.3460	0.000	1	111.3460	0.000	1	110.7317	0.519	3	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CHN)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CHN){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	110.9100	0.000	1	110.9100	0.000	1	110.7317	0.519	3	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|P<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC){1|C<4>,1|P<3>}	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CCHH){1|N<3>}	110.1160	0.223	4	110.1160	0.050	4	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|Br<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|Br<1>,1|C<4>}	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CH3){1|N<3>}	111.0420	0.000	1	111.0420	0.000	1	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<3>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	112.4250	0.000	1	112.4250	0.000	1	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<3>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	110.6055	0.463	2	110.6055	0.215	2	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<3>}	110.1080	0.421	7	110.1080	0.177	7	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[5]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[5]H){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<3>}	109.5180	0.000	1	109.5180	0.000	1	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){1|C<3>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	110.5797	0.336	7	110.5587	0.095	9	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){2|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	110.4850	0.260	2	110.5587	0.095	9	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	111.3810	0.000	1	111.3810	0.000	1	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCCH){1|N<3>}	111.2520	0.000	1	111.2520	0.000	1	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO){1|N<3>}	110.5345	0.361	2	110.5345	0.131	2	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|N<3>}	110.8250	0.000	1	110.8250	0.000	1	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC[6a]HH){1|N<3>}	110.8480	0.000	1	110.8480	0.000	1	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CClHH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CClHH){1|N<3>}	114.3155	0.046	2	114.3155	0.002	2	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<3>}	111.2210	0.000	1	111.2210	0.000	1	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHN)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHN){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|N<3>}	109.3340	0.000	1	109.3340	0.000	1	110.7144	1.175	35	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){2|C<3>,2|C<4>,2|O<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	110.8320	0.000	1	110.8320	0.000	1	110.8320	0.000	1	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:P-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]P)	C[5a](N[5a]C[5a])(S[5a]C[5a])(PC[5a]2)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]P){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(PC[5a]2){2|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|P<3>}	111.2750	0.104	3	111.2750	0.011	3	111.2750	0.011	3	110.2189	5.379	45	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[5]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6]){1|Fe<6>,1|C<3>,3|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){2|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(N[5a]C[5a]){1|H<1>,3|C<3>}	100.7430	0.000	1	100.7430	0.000	1	101.1273	0.117	3	105.4130	23.267	7	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[5]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6]){1|Zn<5>,1|C<3>,1|N<2>,2|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|Zn<4>,1|Zn<5>,1|N<3>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a]){1|H<1>,3|C<3>}	101.4000	0.000	1	101.3195	0.013	2	101.1273	0.117	3	105.4130	23.267	7	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[5]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C[6]){1|Zn<5>,1|C<3>,3|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|Zn<4>,1|Zn<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a]){1|H<1>,3|C<3>}	101.2390	0.000	1	101.3195	0.013	2	101.1273	0.117	3	105.4130	23.267	7	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	102.9670	0.000	1	102.9670	0.000	1	102.9670	0.000	1	105.4130	23.267	7	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N[5]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|Br<1>,1|C<4>,3|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	110.6790	0.249	2	110.6790	0.062	2	110.6790	0.062	2	105.4130	23.267	7	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N[6]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6])	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	110.1840	0.000	1	110.1840	0.000	1	110.1840	0.000	1	105.4130	23.267	7	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:O[5a]-2:N-2:	N[5a](C[5a]N[5a]C)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]N)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH){1|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<4>}	102.5720	0.000	1	102.5720	0.000	1	102.5720	0.000	1	105.8660	8.262	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a]N[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(N[5a]S[5a])(CH3)	C[5a](N[5a]C[5a])(S[5a]N[5a])(NN)	N[5a](C[5a]N[5a]C)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(N[5a]S[5a])(CH3){1|N<2>}	C[5a](N[5a]C[5a])(S[5a]N[5a])(NN){1|C<4>}	107.5130	0.499	2	107.5130	0.249	2	107.5130	0.249	2	105.8660	8.262	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[5a]HH){1|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN){1|C<4>}	103.1265	1.152	2	103.1265	1.327	2	103.1265	1.327	2	103.1265	1.327	2	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]2H)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]2H){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<4>}	102.6240	0.055	2	102.6240	0.003	2	102.2888	0.218	6	102.2888	0.218	6	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]CH)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]CH){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<4>}	102.1010	0.003	2	102.1010	0.000	2	102.2888	0.218	6	102.2888	0.218	6	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CClNN)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CClNN){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<4>}	101.5290	0.000	1	101.5290	0.000	1	102.2888	0.218	6	102.2888	0.218	6	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CN[6]HH)	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCCH)	N[5a](C[5a]N[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CN[6]HH){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCCH){1|C<4>}	102.7540	0.000	1	102.7540	0.000	1	102.2888	0.218	6	102.2888	0.218	6	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC[6a]OO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC[6a]OO){1|C<3>,1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<4>}	101.9700	0.000	1	101.9700	0.000	1	101.9700	0.000	1	109.9337	10.211	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]HH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]HH){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<4>}	111.0240	0.000	1	111.0240	0.000	1	111.3680	5.490	5	109.9337	10.211	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<4>}	110.0590	0.000	1	110.0590	0.000	1	111.3680	5.490	5	109.9337	10.211	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<4>}	115.4720	0.000	1	115.4720	0.000	1	111.3680	5.490	5	109.9337	10.211	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CHHN)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CHHN){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<4>}	110.1425	0.532	2	110.1425	0.284	2	111.3680	5.490	5	109.9337	10.211	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:N-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NH3)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NH3){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<4>}	112.0440	1.867	2	112.0440	3.485	2	112.0440	3.485	2	109.9337	10.211	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]P)	C[5a](N[5a]C[5a])(S[5a]C[5a])(PC[6a]2O)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]P){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(PC[6a]2O){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|P<4>}	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	109.9337	10.211	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:S-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]S)	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC[5a]OO)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]S){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC[5a]OO){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|S<4>}	108.5725	0.033	2	108.5725	0.001	2	108.7790	0.128	3	109.9337	10.211	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:S-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]S)	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]S){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC[6a]OO){2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|S<4>}	109.1920	0.000	1	109.1920	0.000	1	108.7790	0.128	3	109.9337	10.211	12	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<4>}	103.7056	1.234	8	103.7056	1.524	8	103.3768	1.298	12	104.2357	5.362	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO){1|H<1>,1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<4>}	101.8560	0.000	1	101.8560	0.000	1	103.3768	1.298	12	104.2357	5.362	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<4>}	103.0067	0.119	3	103.0067	0.014	3	103.3768	1.298	12	104.2357	5.362	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]S)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]S)(C[5a]O[5a]C){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]HH){1|C<4>,1|S<2>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(SC){1|C<4>}	104.3890	0.000	1	104.3890	0.000	1	104.3890	0.000	1	104.2357	5.362	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OC)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|O<2>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OC){1|C<4>}	109.7320	0.000	1	109.7320	0.000	1	109.3130	0.351	2	104.2357	5.362	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OH)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|O<2>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OH){1|C<4>}	108.8940	0.000	1	108.8940	0.000	1	109.3130	0.351	2	104.2357	5.362	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]C)2{1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|C<3>,1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CNN){1|C<4>}	101.8960	0.000	1	101.8960	0.000	1	101.8960	0.000	1	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<4>}	103.2970	0.000	1	103.2970	0.000	1	102.5545	0.373	8	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<4>}	103.3480	0.000	1	103.3480	0.000	1	102.5545	0.373	8	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC){1|C<4>}	102.6610	0.110	2	102.6610	0.012	2	102.5545	0.373	8	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|C<3>,1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|C<4>}	102.6100	0.000	1	102.6100	0.000	1	102.5545	0.373	8	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<4>}	102.1325	0.340	2	102.1325	0.116	2	102.5545	0.373	8	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHN)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHN){1|C<4>}	101.5940	0.000	1	101.5940	0.000	1	102.5545	0.373	8	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CCH){1|C<4>}	104.7430	0.000	1	104.7430	0.000	1	104.7430	0.000	1	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHN)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHN){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCH){1|C<4>}	111.1720	0.380	2	111.1720	0.145	2	110.6457	0.440	41	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHN)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHN){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO){1|C<4>}	110.4587	0.497	32	110.4587	0.247	32	110.6457	0.440	41	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CF3)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CF3){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCH){1|C<4>}	109.6240	0.000	1	109.6240	0.000	1	110.6457	0.440	41	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCH){1|C<4>}	111.5860	0.522	5	111.5860	0.273	5	110.6457	0.440	41	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|N<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|N<3>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CCH){1|C<4>}	111.8980	0.000	1	111.8980	0.000	1	110.6457	0.440	41	109.0892	10.636	51	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)2{1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|C<4>}	103.5790	0.000	1	103.5790	0.000	1	103.5688	0.738	5	106.2223	14.334	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)2{1|B<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3){1|C<4>}	103.0710	0.062	3	103.0710	0.004	3	103.5688	0.738	5	106.2223	14.334	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)2{1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	105.0520	0.000	1	105.0520	0.000	1	103.5688	0.738	5	106.2223	14.334	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]CH)	C[5a](C[5a]O[5a]N[6])(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|N<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	C[5a](C[5a]O[5a]N[6])(N[5a]C[5a])(CC3){3|C<4>}	104.6490	0.000	1	104.6490	0.000	1	104.8295	0.065	2	106.2223	14.334	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CCHH){1|C<4>}	105.0100	0.000	1	105.0100	0.000	1	104.8295	0.065	2	106.2223	14.334	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3){1|C<4>}	110.7560	0.000	1	110.7560	0.000	1	111.5733	0.501	3	106.2223	14.334	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	112.0020	0.000	1	112.0020	0.000	1	111.5733	0.501	3	106.2223	14.334	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|S<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<4>,1|S<4>}	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3){1|C<4>}	111.9620	0.000	1	111.9620	0.000	1	111.5733	0.501	3	106.2223	14.334	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:O[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){1|C<3>,1|H<1>}	104.2890	0.000	1	104.2890	0.000	1	104.2890	0.000	1	102.9600	5.258	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]B[5,5]S[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]H){1|B<4>}	C[5a](C[5a]B[5,5]S[5a])(N[5a]C[5a])(H){1|H<1>,1|N<4>,2|O<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(H){1|B<4>,1|H<1>}	109.2420	0.000	1	109.2420	0.000	1	110.5996	1.229	5	102.9600	5.258	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(H){1|C<3>,1|H<1>}	110.9390	0.933	4	110.9390	0.871	4	110.5996	1.229	5	102.9600	5.258	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:I-1:	N[5a]-2:S[5a]-2:Br-1:	N[5a](C[5a]S[5a]Br)(C[5a]C[5a]I)	C[5a](C[5a]S[5a]I)(N[5a]C[5a])(I)	C[5a](N[5a]C[5a])(S[5a]C[5a])(Br)	N[5a](C[5a]S[5a]Br)(C[5a]C[5a]I){1|I<1>}	C[5a](C[5a]S[5a]I)(N[5a]C[5a])(I){1|Br<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(Br){2|I<1>}	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	102.9600	5.258	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2{1|C<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	102.2870	0.000	1	102.1651	0.388	10	102.3416	0.798	73	102.9600	5.258	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2{1|C<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	102.1516	0.659	9	102.1651	0.388	10	102.3416	0.798	73	102.9600	5.258	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2{1|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	102.3470	0.441	6	102.2585	0.310	57	102.3416	0.798	73	102.9600	5.258	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2{1|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	102.6760	0.000	1	102.2585	0.310	57	102.3416	0.798	73	102.9600	5.258	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2{1|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	102.2395	0.574	50	102.2585	0.310	57	102.3416	0.798	73	102.9600	5.258	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]N[5a]C[3])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2{1|C<4>}	C[5a](N[5a]N[5a]C[3])(N[5a]C[5a])(H){1|C<3>,1|H<1>,2|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	101.9670	0.277	2	101.9670	0.077	2	102.3416	0.798	73	102.9600	5.258	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2{1|C<4>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	102.5960	0.000	1	102.5960	0.000	1	102.3416	0.798	73	102.9600	5.258	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2{1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){2|H<1>}	104.6740	3.092	3	104.6740	9.558	3	102.3416	0.798	73	102.9600	5.258	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){2|H<1>}	108.5677	2.027	3	108.5677	4.109	3	109.8149	1.925	12	109.6696	1.604	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){2|H<1>}	109.4973	0.698	4	109.4973	0.488	4	109.8149	1.925	12	109.6696	1.604	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NS)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|N<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NS){2|H<1>}	110.8174	0.592	5	110.8174	0.350	5	109.8149	1.925	12	109.6696	1.604	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:S[5a]-2:O-2:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]O)	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(OC)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]O){1|C<4>}	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(H){2|C<3>,2|O<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(OC){1|C<4>,1|H<1>}	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	109.6696	1.604	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:S[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]S)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]S){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|S<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC){2|H<1>}	109.0765	0.108	2	109.0765	0.012	2	109.0765	0.012	2	109.6696	1.604	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]O[5a]C)	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]C){1|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	104.8420	0.000	1	104.8420	0.000	1	104.8420	0.000	1	106.5013	32.857	7	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(C[5a]O[5a]N)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]N){1|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH){1|C<3>,1|H<1>}	103.0500	0.000	1	103.0500	0.000	1	103.0500	0.000	1	106.5013	32.857	7	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]N){1|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(H){1|C<3>,1|N<3>,1|S<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	114.8135	0.221	2	114.8135	0.049	2	114.8135	0.049	2	106.5013	32.857	7	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<4>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO){1|C<4>,1|H<1>}	102.6633	0.163	3	102.6633	0.026	3	102.6633	0.026	3	106.5013	32.857	7	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	N[5a]-2:S[5a]-2:Si-4:	N[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(Br)	C[5a](N[5a]C[5a])(S[5a]C[5a])(SiC3)	N[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si){1|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(Br){1|Si<4>,1|C<3>,1|S<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(SiC3){1|Br<1>,1|C<3>}	110.4750	0.000	1	110.4750	0.000	1	110.4750	0.000	1	104.8312	10.027	5	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Cl-1:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]Cl)(C[5a]O[5a]C)	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(Cl)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]Cl)(C[5a]O[5a]C){1|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(Cl){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|Cl<1>,1|C<3>}	103.8300	0.000	1	103.8300	0.000	1	103.8300	0.000	1	104.8312	10.027	5	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	103.1995	0.162	2	103.1995	0.026	2	103.2837	0.034	3	104.8312	10.027	5	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<4>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	103.4520	0.000	1	103.4520	0.000	1	103.2837	0.034	3	104.8312	10.027	5	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5,5a]-3:N[5a]-2:H-1:	N[5,5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(N[5a]C[5a])(H)	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H){1|C<3>,1|C<4>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	106.3088	0.649	10	106.3088	0.421	10	106.3088	0.421	10	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	N[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|C<3>,1|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	104.8020	0.000	1	104.8020	0.000	1	104.8020	0.000	1	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<1>,2|C<3>}	105.4310	0.000	1	105.4310	0.000	1	105.4310	0.000	1	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	N[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(Br)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br){1|Br<1>,1|C<4>}	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(Br){1|Br<1>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br){2|Br<1>}	105.1842	2.190	5	105.1842	4.797	5	105.1842	4.797	5	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(Br)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H){1|Br<1>,1|C<4>}	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(Br){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|Br<1>}	104.0640	0.017	2	104.0640	0.000	2	104.0640	0.000	2	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Cl-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H){1|Cl<1>,1|C<4>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|Cl<1>}	104.3990	0.279	2	104.3990	0.078	2	103.8973	0.794	3	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Cl-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(Cl)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|Cl<1>,1|H<1>}	102.8940	0.000	1	102.8940	0.000	1	103.8973	0.794	3	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Br<1>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Br){2|H<1>}	103.8265	0.268	2	103.8265	0.072	2	103.8265	0.072	2	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.7480	0.000	1	104.7480	0.000	1	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.2220	0.052	2	104.2220	0.003	2	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.6602	0.274	5	104.6602	0.075	5	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Cu<5>,1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|Cu<5>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.7840	0.000	1	104.7740	0.000	2	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Cu<5>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|Cu<5>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.7640	0.000	1	104.7740	0.000	2	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Fe<6>,1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|Fe<6>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.7750	0.409	3	106.3233	1.314	4	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Fe<6>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|Fe<6>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	107.9680	0.000	1	106.3233	1.314	4	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Ni)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Ni<6>,1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|Ni<6>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.3387	0.187	3	106.3387	0.035	3	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]V)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|V<6>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>,1|V<6>}	C[5a](N[5a]C[5a]V)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	108.4630	0.000	1	108.4630	0.000	1	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Cu<4>,1|C<3>}	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.7670	0.000	1	106.8190	8.421	2	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Cu<6>,1|C<3>}	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H){1|Cu<6>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	108.8710	0.000	1	106.8190	8.421	2	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Ni)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Ni<6>,1|C<3>}	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H){1|Ni<6>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]Ni)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	108.6740	0.000	1	108.6740	0.000	1	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){2|C<3>,2|H<1>}	105.2200	0.127	2	105.2200	0.016	2	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|B<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|B<4>,1|H<1>}	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H){2|H<1>}	104.4756	0.581	9	104.4756	0.338	9	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<2>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<2>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	105.8385	1.443	2	105.4103	4.144	230	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	105.0403	1.506	25	105.4103	4.144	230	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	105.4517	2.097	203	105.4103	4.144	230	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Cd)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Cd<6>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Cd<6>,1|H<1>}	C[5a](N[5a]C[5a]Cd)(N[5a]C[5a])(H){2|H<1>}	106.6810	0.000	1	106.6810	0.000	1	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Co<6>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Co<6>,1|H<1>}	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(H){2|H<1>}	107.3120	0.000	1	107.3120	0.000	1	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Cu<2>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Cu<2>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(H){2|H<1>}	106.8260	0.000	1	107.1198	0.275	5	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Cu<5>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Cu<5>,1|H<1>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(H){2|H<1>}	107.1933	0.575	4	107.1198	0.275	5	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|H<1>}	106.0724	4.169	29	106.0724	17.377	29	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Ni)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Ni<6>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Ni<6>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(N[5a]C[5a])(H){2|H<1>}	107.2254	0.468	10	107.2254	0.219	10	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|O<2>}	C[5a](N[5a]C[5a]O)(N[5a]C[5a])(H){2|H<1>}	108.1150	2.616	2	108.1150	6.845	2	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Re)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Re<6>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Re<6>,1|H<1>}	C[5a](N[5a]C[5a]Re)(N[5a]C[5a])(H){2|H<1>}	102.9390	0.000	1	102.9390	0.000	1	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|S<4>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){2|H<1>}	105.2080	0.432	3	105.2080	0.186	3	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Zn)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|Zn<6>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Zn<6>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(N[5a]C[5a])(H){2|H<1>}	107.6290	0.445	2	107.6290	0.198	2	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	104.6930	0.000	1	104.6930	0.000	1	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|N<2>,1|S<4>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>,1|S<4>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	105.7170	0.000	1	105.7170	0.000	1	105.5806	5.027	318	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:I-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|I<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I){2|H<1>}	104.5315	0.013	2	104.5315	0.000	2	104.4453	0.022	3	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:I-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I){1|H<1>,1|I<1>}	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(I){1|H<1>,1|I<1>}	104.2730	0.000	1	104.2730	0.000	1	104.4453	0.022	3	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:Se-1:	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Se)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Se<1>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Se){2|H<1>}	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:I-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]I)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(I)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(I){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	103.8320	0.000	1	103.8320	0.000	1	103.8320	0.000	1	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:I-1:	N[5a]-3:N[5a]-2:I-1:	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(I)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I){1|C<4>,1|I<1>}	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(I){1|C<4>,1|I<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I){2|I<1>}	104.7250	0.446	3	104.7250	0.199	3	104.7250	0.199	3	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	C[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a])(H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H){2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	106.3020	0.000	1	106.3020	0.000	1	105.8698	0.308	4	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|C<3>,1|C<4>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,3|H<1>}	106.3380	0.000	1	105.7257	0.337	3	105.8698	0.308	4	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H){2|C<4>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	105.4195	0.334	2	105.7257	0.337	3	105.8698	0.308	4	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[3,5]C[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[3,5]C[5a])(N[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.4650	0.000	1	104.4650	0.000	1	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.6762	0.491	17	104.6939	0.233	18	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){1|N<2>,1|S<2>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.9940	0.000	1	104.6939	0.233	18	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[3])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C[3])(N[5a]C[5a])(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.8970	0.000	1	104.8970	0.000	1	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]F)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|F<1>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a]F)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	106.0540	0.000	1	106.0540	0.000	1	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.3710	0.000	1	104.5813	0.063	6	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|Fe<10>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.2830	0.000	1	104.5813	0.063	6	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.7085	0.199	4	104.5813	0.063	6	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){1|C<2>,1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.8650	0.000	1	105.3328	0.767	5	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.1970	0.000	1	105.3328	0.767	5	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){2|H<1>,2|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.7610	0.000	1	105.3328	0.767	5	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){1|C<3>,1|O<2>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.9205	0.190	2	105.3328	0.767	5	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.1290	0.674	5	105.4829	2.767	97	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.9520	0.000	1	105.4829	2.767	97	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.5462	1.783	83	105.4829	2.767	97	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|H<1>,2|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.1140	0.371	8	105.4829	2.767	97	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|H<1>}	104.7800	0.708	3	104.6949	0.637	8	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|H<1>}	104.6438	0.925	5	104.6949	0.637	8	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|I<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(H){2|H<1>}	106.5980	0.000	1	106.5980	0.000	1	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]P[5])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|P<5>}	C[5a](N[5a]C[5a]P[5])(N[5a]C[5a])(H){1|N<3>,2|H<1>,3|O<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|P<5>}	104.8610	1.172	2	104.8610	1.374	2	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]P[6])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|P<4>}	C[5a](N[5a]C[5a]P[6])(N[5a]C[5a])(H){1|O<2>,2|H<1>,2|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|P<4>}	104.4070	0.799	4	104.4070	0.639	4	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.3250	0.000	1	104.8077	0.228	3	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.5490	0.233	2	104.8077	0.228	3	105.2505	2.083	147	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:S-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(S)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(S){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|S<1>}	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	105.4756	4.024	502	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){3|C<3>,3|H<1>}	110.2523	0.388	3	110.2523	0.150	3	110.2523	0.150	3	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<2>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC){2|H<1>}	105.0367	0.847	13	105.0367	0.718	13	105.0367	0.718	13	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NH){1|C<3>,1|H<1>}	104.3220	0.000	1	104.3220	0.000	1	104.5698	0.425	6	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN){2|H<1>}	103.9965	0.182	2	103.9965	0.033	2	104.5698	0.425	6	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|H<1>}	105.0347	0.601	3	105.0347	0.361	3	104.5698	0.425	6	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC){2|H<1>}	105.4268	1.978	6	105.4268	3.913	6	106.0708	4.349	16	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC[6a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC[6a]){2|H<1>}	105.8405	0.870	2	105.8405	0.758	2	106.0708	4.349	16	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SRe)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SRe){2|H<1>}	109.1600	0.000	1	109.1600	0.000	1	106.0708	4.349	16	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|S<2>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS){2|H<1>}	108.3840	2.061	2	106.7932	4.010	6	106.0708	4.349	16	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS){2|H<1>}	105.9977	1.654	4	106.7932	4.010	6	106.0708	4.349	16	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SS)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|S<2>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SS){2|H<1>}	102.9720	0.000	1	102.9720	0.000	1	106.0708	4.349	16	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:Se-2:	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SeSe)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Se<2>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SeSe){2|H<1>}	106.4347	2.257	3	106.4347	5.092	3	106.4347	5.092	3	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C-2:	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CN)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<4>,1|N<3>}	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CN){2|C<4>,2|H<1>}	104.7448	0.264	6	104.7448	0.070	6	104.7448	0.070	6	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-2:	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CN)	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H){1|C<3>,1|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<2>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CN){1|H<1>,2|C<3>}	106.1210	0.000	1	106.1210	0.000	1	106.1210	0.000	1	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-2:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<2>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN){2|H<1>}	104.1380	0.000	1	104.1380	0.000	1	104.1380	0.000	1	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(OC)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H){1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(OC){2|H<1>}	105.7840	0.000	1	105.7840	0.000	1	105.7840	0.000	1	105.6920	3.557	50	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCC){2|H<1>}	105.6890	0.000	1	105.6890	0.000	1	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH){2|H<1>}	105.0815	0.131	2	105.0815	0.017	2	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCN){2|H<1>}	107.9105	3.511	2	107.9105	12.326	2	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCO){2|H<1>}	105.1141	0.346	16	105.1141	0.120	16	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[3]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[3]O){2|H<1>}	104.4022	1.128	4	104.4022	1.273	4	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]O){2|H<1>}	105.2520	0.000	1	105.2520	0.000	1	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){2|H<1>}	105.2000	0.000	1	105.2000	0.000	1	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){2|H<1>}	104.8690	0.000	1	104.8690	0.000	1	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHN){2|H<1>}	105.5272	0.468	13	105.5272	0.219	13	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CNO){2|H<1>}	105.0646	0.221	7	105.0646	0.049	7	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5]O){2|H<1>}	105.8170	1.198	2	105.8170	1.435	2	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(COO){2|H<1>}	105.2400	0.000	1	105.2400	0.000	1	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Co<6>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Co<6>,1|C<3>}	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(CHN){2|H<1>}	104.0060	0.000	1	104.0060	0.000	1	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Cu<5>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Cu<5>,1|C<3>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CHN){2|H<1>}	103.1280	0.000	1	103.1280	0.000	1	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Fe<6>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Fe<6>,1|C<3>}	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(CHN){2|H<1>}	104.0070	1.744	7	104.0070	3.041	7	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCH){2|H<1>}	105.0770	0.761	2	105.0770	0.579	2	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCN){2|H<1>}	105.5180	0.000	1	105.5180	0.000	1	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CC[5]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CC[5]H){2|H<1>}	104.8070	0.000	1	104.8070	0.000	1	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CHN){2|H<1>}	105.0367	0.336	10	105.0367	0.113	10	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]O)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|O<2>}	C[5a](N[5a]C[5a]O)(N[5a]C[5a])(CCO){2|H<1>}	105.1050	0.000	1	105.1050	0.000	1	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Sn)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Sn<5>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Sn<5>,1|C<3>}	C[5a](N[5a]C[5a]Sn)(N[5a]C[5a])(CHN){2|H<1>}	105.0000	0.000	1	105.0000	0.000	1	105.0887	1.034	76	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NHH){1|C<3>,1|H<1>}	104.3490	0.033	3	104.3490	0.001	3	104.0087	0.244	15	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO){2|H<1>}	103.5916	0.410	7	103.5916	0.168	7	104.0087	0.244	15	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NCH){2|H<1>}	104.4565	0.090	4	104.4565	0.008	4	104.0087	0.244	15	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NOO){2|H<1>}	104.1170	0.000	1	104.1170	0.000	1	104.0087	0.244	15	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:P-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[5a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[5a]2){2|H<1>}	105.0973	0.158	3	105.0973	0.025	3	105.3258	0.102	6	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:P-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2){2|H<1>}	105.5543	0.270	3	105.5543	0.073	3	105.3258	0.102	6	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:S-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|S<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SCO){2|H<1>}	104.4870	0.000	1	104.4870	0.000	1	104.4870	0.000	1	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<4>,1|N<2>}	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO){1|H<1>,2|C<4>}	105.0455	0.085	4	105.3278	0.071	22	105.3523	0.076	24	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<4>,1|N<3>}	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO){2|C<4>,2|H<1>}	105.3906	0.253	18	105.3278	0.071	22	105.3523	0.076	24	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<3>,1|S<2>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|S<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])(COO){1|H<1>,2|C<3>}	105.4160	0.000	1	105.4160	0.000	1	105.3523	0.076	24	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<4>,1|N<3>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO){1|D<1>,1|H<1>,2|C<4>}	105.8280	0.000	1	105.8280	0.000	1	105.3523	0.076	24	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H){1|C<3>,1|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CNO){1|C<3>,1|H<1>,1|N<2>}	106.8826	0.357	10	106.8826	0.128	10	106.9041	0.122	12	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H){1|C<3>,1|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(COO){1|C<3>,1|H<1>,1|N<2>}	107.0115	0.412	2	107.0115	0.170	2	106.9041	0.122	12	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|N<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	105.0670	0.000	1	105.0670	0.000	1	104.6307	0.606	12	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	104.5385	0.209	2	104.5385	0.044	2	104.6307	0.606	12	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|N<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	105.5570	0.455	2	105.5570	0.207	2	104.6307	0.606	12	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH){2|H<1>}	103.8270	0.000	1	103.8270	0.000	1	104.6307	0.606	12	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[5a]H){2|H<1>}	104.5590	0.000	1	104.5590	0.000	1	104.6307	0.606	12	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){2|H<1>}	103.7375	1.401	2	103.7375	1.962	2	104.6307	0.606	12	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH){2|H<1>}	104.9440	0.000	1	104.9440	0.000	1	104.6307	0.606	12	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHN){2|H<1>}	104.4770	0.000	1	104.4770	0.000	1	104.6307	0.606	12	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHO){2|H<1>}	105.0290	0.000	1	105.0290	0.000	1	104.6307	0.606	12	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|H<1>}	103.1030	0.000	1	103.1030	0.000	1	104.7795	0.833	6	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|N<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){1|C<3>,1|H<1>}	105.4430	0.383	2	105.4430	0.147	2	104.7795	0.833	6	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NCH){2|H<1>}	104.9380	0.000	1	104.9380	0.000	1	104.7795	0.833	6	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[5]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<2>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<2>,1|N<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[5]H){2|H<1>}	105.2510	0.000	1	105.2510	0.000	1	104.7795	0.833	6	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]O)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|H<1>,1|O<2>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a])(NOO){2|H<1>}	104.4990	0.000	1	104.4990	0.000	1	104.7795	0.833	6	105.1241	1.044	152	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	N[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)	C[5a](C[5a,6]N[5a,6]C[6,6])(N[5a]C[5a])(H)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C){2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6,6])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	106.5480	0.000	1	106.5480	0.000	1	106.5480	0.000	1	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	106.5360	0.000	1	106.5360	0.000	1	106.5360	0.000	1	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.1430	2.848	2	107.1430	8.112	2	106.3985	2.627	26	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	105.2540	0.000	1	105.2540	0.000	1	106.3985	2.627	26	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|B<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|B<4>,1|C<4>}	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(CH3){2|H<1>}	105.8350	0.665	2	105.8350	0.442	2	106.3985	2.627	26	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	105.7054	0.689	5	105.7054	0.475	5	106.3985	2.627	26	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){2|H<1>}	105.2563	0.565	3	105.2563	0.319	3	106.3985	2.627	26	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CC[5a]CH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Cu<5>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Cu<5>,1|C<4>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CC[5a]CH){2|H<1>}	108.0590	0.720	2	108.0590	0.518	2	106.3985	2.627	26	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHN){2|H<1>}	104.7355	0.706	2	104.7355	0.499	2	106.3985	2.627	26	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|H<1>}	107.0509	1.915	7	107.0509	3.668	7	106.3985	2.627	26	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Ni)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Ni<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Ni<4>,1|C<4>}	C[5a](N[5a]C[5a]Ni)(N[5a]C[5a])(CCCH){2|H<1>}	109.2420	0.000	1	109.2420	0.000	1	106.3985	2.627	26	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|S<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|S<4>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(CCHH){2|H<1>}	106.6690	0.000	1	106.6690	0.000	1	106.3985	2.627	26	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2O){2|H<1>}	105.5830	0.000	1	105.5830	0.000	1	104.9884	1.623	14	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2S){2|H<1>}	105.5410	0.000	1	105.5410	0.000	1	104.9884	1.623	14	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PPdCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PPdCC){2|H<1>}	105.7475	0.042	2	105.7475	0.002	2	104.9884	1.623	14	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PIrCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|P<4>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PIrCC){2|H<1>}	105.1283	0.295	3	105.1283	0.087	3	104.9884	1.623	14	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PPtCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|P<4>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PPtCC){2|H<1>}	104.8678	1.199	5	104.8678	1.437	5	104.9884	1.623	14	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|P<3>,1|P<4>}	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC3){2|H<1>}	106.0010	0.000	1	106.0010	0.000	1	104.9884	1.623	14	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	C[5a](N[5a]C[5a]Pt)(N[5a]C[5a])(PPtCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|Pt<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Pt<3>,1|P<4>}	C[5a](N[5a]C[5a]Pt)(N[5a]C[5a])(PPtCC){2|H<1>}	101.4940	0.000	1	101.4940	0.000	1	104.9884	1.623	14	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|N<2>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	105.5150	0.042	2	105.5150	0.002	2	105.7200	1.206	21	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	105.7746	1.180	18	105.7746	1.391	18	105.7200	1.206	21	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){2|H<1>}	105.1460	0.000	1	105.1460	0.000	1	105.7200	1.206	21	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|S<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	103.5540	0.000	1	103.5540	0.000	1	103.8690	0.198	2	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	104.1840	0.000	1	104.1840	0.000	1	103.8690	0.198	2	105.8022	2.161	65	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(H){1|C<3>}	101.1630	0.000	1	101.1630	0.000	1	101.1690	0.045	3	105.0463	60.163	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H){1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,1|O<1>,2|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(H){1|C<3>}	101.3850	0.000	1	101.1720	0.091	2	101.1690	0.045	3	105.0463	60.163	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]H){1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,1|O<2>,2|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(H){1|C<3>}	100.9590	0.000	1	101.1720	0.091	2	101.1690	0.045	3	105.0463	60.163	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a]-2:S[5a]-2:O-1:	N[5a](C[5a]C[6a]S[5a])(C[5a]S[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]S[5a])	C[5a](N[5a]C[5a])(S[5a]S[5a])(O)	N[5a](C[5a]C[6a]S[5a])(C[5a]S[5a]O){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]S[5a]){1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]S[5a])(O){1|C<3>}	116.6780	0.000	1	116.6780	0.000	1	116.6780	0.000	1	105.0463	60.163	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:N-2:	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N)	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N){1|C<3>,1|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	101.7110	0.000	1	101.3305	0.290	2	101.3305	0.290	2	104.6622	14.396	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:N-2:	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N)	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N){1|C<3>,1|N<3>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	100.9500	0.000	1	101.3305	0.290	2	101.3305	0.290	2	104.6622	14.396	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5]-3:N[5a]-2:O[5a]-2:	N[5a]-2:N[5a]-2:C-2:	N[5a](C[5a]O[5a]C[5])(C[5a]N[5a]C)	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(O[5a]N[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CN)	N[5a](C[5a]O[5a]C[5])(C[5a]N[5a]C){1|C<3>,1|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(O[5a]N[5a]){1|N<3>,1|O<2>,2|C<2>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(CN){1|C<3>}	101.0770	0.000	1	101.0770	0.000	1	101.0770	0.000	1	104.6622	14.396	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:N-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N){2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|N<2>,1|O<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	102.0800	0.052	2	102.0800	0.003	2	102.0800	0.003	2	104.6622	14.396	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-2:	N[5a]-2:S[5a]-2:S-2:	N[5a](C[5a]C[5a]S)(C[5a]S[5a]S)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(SAu)	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC)	N[5a](C[5a]C[5a]S)(C[5a]S[5a]S){1|S<2>}	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(SAu){1|S<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC){2|S<2>}	106.4485	1.599	2	106.4485	2.556	2	108.3864	3.909	5	104.6622	14.396	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-2:	N[5a]-2:S[5a]-2:S-2:	N[5a](C[5a]C[5a]S)(C[5a]S[5a]S)	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(SNi)	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC)	N[5a](C[5a]C[5a]S)(C[5a]S[5a]S){1|S<2>}	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(SNi){1|S<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC){2|S<2>}	109.6783	0.529	3	109.6783	0.280	3	108.3864	3.909	5	104.6622	14.396	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:O-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(OC[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(OC[6a]){1|C<3>}	101.4540	0.000	1	101.4540	0.000	1	101.4540	0.000	1	104.6622	14.396	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N)	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]C[5])(C[5a]O[5a]N){1|C<3>,1|N<3>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|C<3>}	101.4290	0.000	1	101.4290	0.000	1	101.4290	0.000	1	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|O<2>,2|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN){1|C<3>}	101.9940	0.000	1	101.9940	0.000	1	101.9940	0.000	1	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|N<2>,1|O<2>,2|N<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|C<3>}	100.3980	0.000	1	101.2977	0.618	3	101.2977	0.618	3	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]N){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|N<3>,1|O<2>,2|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|C<3>}	101.7475	0.145	2	101.2977	0.618	3	101.2977	0.618	3	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCC)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCC){1|C<3>}	102.5550	0.000	1	102.5550	0.000	1	102.6214	0.265	7	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO){1|C<3>}	103.1660	0.000	1	102.6325	0.317	6	102.6214	0.265	7	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO){1|C<3>}	102.2010	0.000	1	102.6325	0.317	6	102.6214	0.265	7	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO){1|C<3>}	101.9440	0.000	1	102.6325	0.317	6	102.6214	0.265	7	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO){1|C<3>}	102.8280	0.514	3	102.6325	0.317	6	102.6214	0.265	7	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC[6]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC[6]H){1|C<3>}	101.9350	0.000	1	101.9350	0.000	1	101.9350	0.000	1	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:N[5a]-2:C-3:	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]O)	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]O){1|C<3>}	102.3710	0.000	1	102.3710	0.000	1	102.3710	0.000	1	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:N[5a]-2:C[6]-3:	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[6]){1|C<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(C[6]C[6]2){1|O<2>,2|C<3>,3|H<1>}	103.2190	0.000	1	103.2190	0.000	1	103.2190	0.000	1	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a]-2:N[5a]-2:C[6]-3:	N[5a](C[5a]C[6a]S[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]N[5a])	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]S[5a])(C[5a]N[5a]C[6]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]S[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	108.4400	0.000	1	108.4400	0.000	1	108.4400	0.000	1	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NN)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)2{1|C<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NN){1|N<3>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>}	100.9180	0.000	1	100.9180	0.000	1	100.9180	0.000	1	102.5029	2.957	17	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,2|N<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	102.4735	0.087	2	102.3153	0.137	6	101.9161	0.520	9	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	102.1685	0.756	2	102.3153	0.137	6	101.9161	0.520	9	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,1|O<2>,2|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	102.3040	0.103	2	102.3153	0.137	6	101.9161	0.520	9	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHN){1|C<3>}	101.7520	0.000	1	101.7520	0.000	1	101.9161	0.520	9	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN3)	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C){2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|O<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN3){1|C<3>}	100.8005	0.080	2	100.8005	0.006	2	101.9161	0.520	9	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCHH){1|C<3>}	102.6480	0.000	1	102.5235	0.031	2	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCHH){1|C<3>}	102.3990	0.000	1	102.5235	0.031	2	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CC[5]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CC[5]HH){1|C<3>}	103.2100	0.225	2	103.2060	0.055	4	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CC[5]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CC[5]HH){1|C<3>}	103.2020	0.338	2	103.2060	0.055	4	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH){1|C<3>}	101.5080	0.000	1	102.4182	0.454	6	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH){1|C<3>}	102.4280	0.702	3	102.4182	0.454	6	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH){1|C<3>}	102.8585	0.261	2	102.4182	0.454	6	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CF3)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CF3){1|C<3>}	101.7027	0.386	3	101.7027	0.149	3	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	102.7726	0.145	5	102.8383	0.043	6	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	103.1670	0.000	1	102.8383	0.043	6	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO){1|C<3>}	102.7189	0.309	7	102.8443	0.173	12	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO){1|C<3>}	102.8667	0.479	3	102.8443	0.173	12	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO){1|C<3>}	103.2500	0.655	2	102.8443	0.173	12	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHS)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHS){1|C<3>}	103.2247	0.809	6	103.2754	0.563	7	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHS)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHS){1|C<3>}	103.5800	0.000	1	103.2754	0.563	7	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[5a]HH){1|C<3>}	102.7250	0.000	1	102.7250	0.000	1	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[6]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[6]HH){1|C<3>}	103.1620	0.000	1	103.1620	0.000	1	102.7968	0.373	42	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	C[5a](N[5a]C[5a])(N[5a]O[5a])(CCCN)	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(CCCN){1|C<3>}	102.6690	0.000	1	102.6690	0.000	1	102.6690	0.000	1	102.6419	0.494	52	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<2>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<2>}	104.2570	0.741	6	104.2570	0.548	6	103.7862	1.164	11	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<2>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<2>}	104.3350	0.000	1	104.3350	0.000	1	103.7862	1.164	11	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN)	C[5a](N[5a]C[5a]Ni)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|Ni<6>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN){1|Ni<6>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(N[5a]C[5a])(H){1|C<2>,1|H<1>}	102.3467	0.279	3	102.3467	0.078	3	103.7862	1.164	11	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN)	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN){1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(H){1|C<2>,1|N<3>}	104.7310	0.000	1	104.7310	0.000	1	103.7862	1.164	11	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	104.0390	0.000	1	104.0390	0.000	1	104.0390	0.000	1	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	101.5635	0.240	2	102.1680	0.470	5	102.1680	0.470	5	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|H<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	102.5710	0.550	3	102.1680	0.470	5	102.1680	0.470	5	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	110.0910	0.000	1	110.0910	0.000	1	109.9756	0.188	16	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	109.7980	0.542	4	109.7980	0.294	4	109.9756	0.188	16	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	109.0990	0.000	1	109.0990	0.000	1	109.9756	0.188	16	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	110.4150	0.000	1	110.4150	0.000	1	109.9756	0.188	16	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.1935	0.252	4	110.1935	0.064	4	109.9756	0.188	16	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H){3|C<3>}	110.0703	0.351	4	110.0703	0.123	4	109.9756	0.188	16	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	109.7570	0.000	1	109.7570	0.000	1	109.9756	0.188	16	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){3|C<3>}	104.0505	0.308	2	104.0505	0.095	2	104.0505	0.095	2	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a]){1|Re<6>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	105.9265	3.188	6	105.9265	10.161	6	106.3821	9.920	7	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(S[5a]C[5a]){2|C<4>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	109.1160	0.000	1	109.1160	0.000	1	106.3821	9.920	7	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	102.8925	0.248	2	102.8925	0.062	2	102.8925	0.062	2	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(Br)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]Br){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(Br){3|C<3>}	103.0090	0.000	1	103.0090	0.000	1	103.0090	0.000	1	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){3|C<3>}	104.7880	0.000	1	104.7830	0.195	14	104.6284	0.207	33	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){3|C<3>}	104.9025	0.149	2	104.7830	0.195	14	104.6284	0.207	33	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){3|C<3>}	104.6850	0.000	1	104.7830	0.195	14	104.6284	0.207	33	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(H){3|C<3>}	104.7684	0.525	10	104.7830	0.195	14	104.6284	0.207	33	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	105.1570	0.000	1	105.1570	0.000	1	104.6284	0.207	33	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	104.9520	0.008	2	104.5042	0.180	17	104.6284	0.207	33	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	104.7840	0.000	1	104.5042	0.180	17	104.6284	0.207	33	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	105.0100	0.000	1	104.5042	0.180	17	104.6284	0.207	33	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	104.4472	0.391	11	104.5042	0.180	17	104.6284	0.207	33	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	103.9775	0.141	2	104.5042	0.180	17	104.6284	0.207	33	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(H){1|C<3>}	104.0470	0.000	1	104.0470	0.000	1	104.6284	0.207	33	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[5a,6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[6a]C[5a,6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.9090	0.000	1	110.9090	0.000	1	110.7305	0.561	22	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a])(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.2960	0.000	1	110.2960	0.000	1	110.7305	0.561	22	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(H){1|S<2>,2|C<3>}	111.1650	1.372	2	111.1650	1.882	2	110.7305	0.561	22	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(H){3|C<3>}	111.0180	0.887	8	111.0180	0.786	8	110.7305	0.561	22	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|Br<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(H){1|C<3>}	111.2050	0.055	2	111.2050	0.003	2	110.7305	0.561	22	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|C<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	110.5460	0.000	1	110.3193	0.056	6	110.7305	0.561	22	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(H){1|C<3>}	110.2740	0.233	5	110.3193	0.056	6	110.7305	0.561	22	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	109.5760	0.000	1	110.0330	0.418	2	110.7305	0.561	22	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|F<1>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.4900	0.000	1	110.0330	0.418	2	110.7305	0.561	22	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<2>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<2>}	105.1760	0.000	1	105.1760	0.000	1	105.1760	0.000	1	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,4|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	101.2800	0.000	1	101.2800	0.000	1	101.2800	0.000	1	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<4>,1|N<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	105.3370	0.000	1	105.3370	0.000	1	105.5186	0.045	7	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(SS)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(SS){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|S<2>}	105.3035	0.042	2	105.3035	0.002	2	105.5186	0.045	7	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(SC[6a])	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S){1|I<1>,1|S<4>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(SC[6a]){1|H<1>,1|I<1>}	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(H){1|S<2>,1|S<4>}	105.6715	0.130	4	105.6715	0.017	4	105.5186	0.045	7	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:I-1:	N[5a](C[5a]C[5a]I)(C[5a]N[5a]S)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC[6a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]S){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC[6a]){1|H<1>,1|I<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(I){1|C<4>,1|S<2>}	104.3970	0.912	2	104.3970	0.832	2	104.3970	0.832	2	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:Se-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(SeSe)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(SeSe){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Se<2>,1|C<3>}	104.3245	0.313	2	104.3245	0.098	2	104.3245	0.098	2	106.4517	9.672	113	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5]-3:N[5a]-2:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[5]){1|N<2>,3|C<3>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	101.4570	0.000	1	101.4570	0.000	1	101.4570	0.000	1	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|N<3>,3|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	102.4680	0.000	1	102.4680	0.000	1	102.4680	0.000	1	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<2>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|H<1>,1|N<2>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|C<2>}	103.5460	0.000	1	103.5460	0.000	1	103.5460	0.000	1	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a]){1|C<3>,1|O<2>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a]){1|N<2>,2|C<3>}	100.6840	0.000	1	100.9318	0.027	5	100.9318	0.027	5	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a]){1|C<3>,1|O<2>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a]){1|N<2>,2|C<3>}	100.9938	0.100	4	100.9318	0.027	5	100.9318	0.027	5	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	101.4660	0.290	2	102.4316	0.799	5	102.4316	0.799	5	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	103.0753	0.040	3	102.4316	0.799	5	102.4316	0.799	5	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC){1|C<3>}	102.7790	0.810	2	102.7790	0.657	2	102.7790	0.657	2	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(O[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a]){1|N<3>,3|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|O<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<2>,2|C<3>}	101.2964	0.319	5	101.2964	0.102	5	101.2964	0.102	5	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a]){1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	101.8310	0.000	1	101.8310	0.000	1	101.8310	0.000	1	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OH)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O){1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OH){1|C<3>}	110.1240	0.000	1	110.1240	0.000	1	109.9210	0.082	2	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(OH)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O){1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(OH){1|C<3>}	109.7180	0.000	1	109.7180	0.000	1	109.9210	0.082	2	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(O[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|O<2>,3|C<3>}	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	102.3460	0.000	1	102.3460	0.000	1	102.3460	0.000	1	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]O)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC)	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]O){1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC){3|C<3>}	109.6160	0.000	1	109.6160	0.000	1	109.6160	0.000	1	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	103.3700	0.000	1	102.9963	0.165	3	102.9963	0.165	3	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|Cl<1>,1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	102.5630	0.000	1	102.9963	0.165	3	102.9963	0.165	3	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	103.0560	0.000	1	102.9963	0.165	3	102.9963	0.165	3	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]N[5a]){2|H<1>,3|C<3>}	109.8930	0.000	1	109.8930	0.000	1	109.8930	0.000	1	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(SS)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|S<2>,2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(SS){1|C<3>}	102.6443	0.258	3	102.6443	0.067	3	102.6443	0.067	3	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(CN)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(CN){3|C<3>}	104.7695	1.469	2	104.7695	2.157	2	104.8102	0.507	6	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC){3|C<3>}	105.3170	0.000	1	105.3170	0.000	1	104.8102	0.507	6	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(CN)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(CN){3|C<3>}	104.5090	0.000	1	104.5090	0.000	1	104.8102	0.507	6	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CN)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CN){1|C<3>}	104.7480	0.132	2	104.7480	0.017	2	104.8102	0.507	6	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(OS)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]O){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(OS){1|C<3>}	102.6870	0.000	1	102.6870	0.000	1	102.6870	0.000	1	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(SC){1|C<3>}	104.7440	0.000	1	104.7440	0.000	1	104.7440	0.000	1	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	103.8120	0.000	1	102.9959	1.113	14	102.9959	1.113	14	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	103.6380	0.000	1	102.9959	1.113	14	102.9959	1.113	14	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){2|H<1>,3|C<3>}	102.8744	1.096	12	102.9959	1.113	14	102.9959	1.113	14	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CN)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CN){1|C<3>}	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OC)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]O){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OC){1|C<3>}	109.8490	0.000	1	109.8490	0.000	1	109.6070	0.181	5	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]O)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]O){1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC){3|C<3>}	109.7940	0.000	1	109.5465	0.216	4	109.6070	0.181	5	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]O)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]O){1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC){3|C<3>}	109.4640	0.533	3	109.5465	0.216	4	109.6070	0.181	5	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(SS)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S){1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(SS){1|C<3>}	111.5380	0.000	1	111.5380	0.000	1	111.5380	0.000	1	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a]){1|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]N[5a]){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]S[5a]){2|H<1>,3|C<3>}	108.8790	0.099	2	108.8790	0.010	2	108.8790	0.010	2	104.1829	9.908	63	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]C[5]S[5])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(CNO)	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C){1|C<2>,1|C<3>,1|S<2>}	C[5a](C[5]C[5]S[5])(N[5a]C[5a])(S[5a]C[5a]){2|C<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(CNO){1|S<2>,2|C<3>}	111.4970	0.106	2	111.4970	0.011	2	111.4970	0.011	2	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C){1|C<3>,2|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CNO){1|C<3>}	105.3870	0.000	1	105.3870	0.000	1	105.3870	0.000	1	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6]H){3|C<3>}	102.8480	0.000	1	102.8480	0.000	1	102.6427	0.227	13	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6a]H){3|C<3>}	101.8490	0.000	2	101.8490	0.000	2	102.6427	0.227	13	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC){1|C<3>}	102.7666	0.296	5	102.7666	0.088	5	102.6427	0.227	13	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH){1|C<3>}	102.4005	0.052	2	102.4005	0.003	2	102.6427	0.227	13	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6]H){1|C<3>}	102.8210	0.000	1	102.8210	0.000	1	102.6427	0.227	13	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	103.5440	0.000	1	103.5440	0.000	1	102.6427	0.227	13	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	102.8100	0.000	1	102.8100	0.000	1	102.6427	0.227	13	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(N[5]C[5]2){1|C<3>,2|C<4>,4|H<1>}	102.4520	0.000	1	102.4520	0.000	1	102.4520	0.000	1	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(COO){3|C<3>}	104.6430	0.000	1	104.6430	0.000	1	104.5756	0.152	7	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(COO){1|C<3>}	104.5443	0.287	3	104.6255	0.081	4	104.5756	0.152	7	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(COO){1|C<3>}	104.8690	0.000	1	104.6255	0.081	4	104.5756	0.152	7	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(COO){1|C<3>}	103.8860	0.000	1	103.8860	0.000	1	104.5756	0.152	7	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|O<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCH){1|C<3>}	104.9980	0.000	1	104.9980	0.000	1	104.5756	0.152	7	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(NC[6a]S)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]N){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(NC[6a]S){3|C<3>}	104.0080	0.000	1	104.0080	0.000	1	104.0080	0.000	1	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CNO)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CNO){3|C<3>}	111.3330	0.000	1	111.3330	0.000	1	111.3564	0.106	5	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(COO){3|C<3>}	111.7330	0.000	1	111.7330	0.000	1	111.3564	0.106	5	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO){1|C<3>}	110.9310	0.000	1	110.9310	0.000	1	111.3564	0.106	5	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO){1|C<3>}	111.1700	0.000	1	111.1700	0.000	1	111.3564	0.106	5	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CCH){1|C<3>}	111.6150	0.000	1	111.6150	0.000	1	111.3564	0.106	5	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){2|C<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){1|O<2>,5|C<3>}	111.6460	0.000	1	111.4082	0.232	9	111.5393	0.211	13	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){2|C<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	111.3785	0.506	8	111.4082	0.232	9	111.5393	0.211	13	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	111.8342	0.237	4	111.8342	0.056	4	111.5393	0.211	13	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C)	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(COO)	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(COO){1|N<3>}	107.9250	0.000	1	107.9250	0.000	1	107.9250	0.000	1	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(COO){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	101.4700	0.000	1	101.4700	0.000	1	101.4700	0.000	1	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(OC[6a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(OC[6a]){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|O<2>}	104.3010	0.000	1	104.3010	0.000	1	104.3010	0.000	1	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCN)	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCN){1|N<3>}	109.2720	0.000	1	109.2720	0.000	1	109.2720	0.000	1	107.0423	16.822	47	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]N[5]S[5])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>}	C[5a](C[5]N[5]S[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|O<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){3|C<3>}	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CF3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<2>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CF3){2|C<2>}	103.8870	0.000	1	103.8870	0.000	1	102.5808	0.531	6	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C[5a](N[5a]C[5a]Li)(N[5a]C[5a])(CF3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|Li<4>,1|C<2>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|Li<4>,1|C<4>}	C[5a](N[5a]C[5a]Li)(N[5a]C[5a])(CF3){2|C<2>}	102.4285	0.491	2	102.3196	0.152	5	102.5808	0.531	6	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C[5a](N[5a]C[5a]Li)(N[5a]C[5a])(CF3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|Li<5>,1|C<2>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|Li<5>,1|C<4>}	C[5a](N[5a]C[5a]Li)(N[5a]C[5a])(CF3){2|C<2>}	102.2470	0.405	3	102.3196	0.152	5	102.5808	0.531	6	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|H<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	102.7730	0.000	1	102.7730	0.000	1	102.7730	0.000	1	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CC[6a]HH){1|C<3>}	104.6760	0.000	1	104.6760	0.000	1	104.6760	0.000	1	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C){1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<3>}	110.5870	0.000	1	110.5870	0.000	1	110.8323	0.160	7	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C){1|N<2>,1|N<3>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CCHH){3|C<3>}	110.6330	0.000	1	110.6330	0.000	1	110.8323	0.160	7	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C){1|Br<1>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]Br)(N[5a]C[5a])(CCHH){1|C<3>}	111.6310	0.000	1	111.6310	0.000	1	110.8323	0.160	7	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CCHH){1|C<3>}	110.8325	0.108	2	110.8325	0.012	2	110.8323	0.160	7	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C){1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	110.6550	0.380	2	110.6550	0.145	2	110.8323	0.160	7	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|N<2>,1|S<2>}	103.4890	0.000	1	103.4890	0.000	1	103.4898	0.216	6	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|B<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3){1|C<3>}	102.6140	0.000	1	102.6140	0.000	1	103.4898	0.216	6	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	103.6225	0.105	2	103.6225	0.011	2	103.4898	0.216	6	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	103.7955	0.279	2	103.7955	0.078	2	103.4898	0.216	6	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CCCH){3|C<3>}	104.7420	0.000	1	104.7420	0.000	1	104.9020	0.113	9	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CH3){3|C<3>}	104.9020	0.000	1	104.9020	0.000	1	104.9020	0.113	9	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]HS)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]HS){1|C<3>}	105.1500	0.000	1	105.1500	0.000	1	104.9020	0.113	9	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CF3)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CF3){1|C<3>}	104.4650	0.000	1	104.8965	0.372	2	104.9020	0.113	9	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CF3)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CF3){1|C<3>}	105.3280	0.000	1	104.8965	0.372	2	104.9020	0.113	9	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3){1|C<3>}	104.8990	0.000	1	105.1440	0.120	2	104.9020	0.113	9	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3){1|C<3>}	105.3890	0.000	1	105.1440	0.120	2	104.9020	0.113	9	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>}	104.6215	0.224	2	104.6215	0.050	2	104.9020	0.113	9	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]S){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<3>}	104.0420	0.000	1	104.0420	0.000	1	104.0420	0.000	1	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CCHH){3|C<3>}	111.9590	0.000	1	111.9590	0.000	1	110.9567	0.258	22	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CF3){1|C<3>}	110.1700	0.241	3	110.1700	0.058	3	110.9567	0.258	22	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<3>}	111.2400	0.271	8	111.2400	0.073	8	110.9567	0.258	22	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CHHO){1|C<3>}	110.4505	0.124	2	110.4505	0.015	2	110.9567	0.258	22	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CCCH){1|C<3>}	110.7260	0.000	1	110.7260	0.000	1	110.9567	0.258	22	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	110.8470	0.000	1	110.8470	0.000	1	110.9567	0.258	22	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHO){1|C<3>}	111.1190	0.113	2	111.1190	0.013	2	110.9567	0.258	22	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CHHS){1|C<3>}	110.4800	0.000	1	110.4800	0.000	1	110.9567	0.258	22	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|P<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CH3){1|C<3>}	111.2980	0.000	1	111.2980	0.000	1	110.9567	0.258	22	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|S<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]S)(N[5a]C[5a])(CH3){1|C<3>}	111.4320	0.000	1	111.4320	0.000	1	110.9567	0.258	22	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C){1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	110.7370	0.000	1	110.7370	0.000	1	110.9567	0.258	22	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C)	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	109.3650	0.000	1	109.3650	0.000	1	109.2705	0.018	2	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5]-3:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C)	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]C){1|C<4>,2|N<2>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CH3){1|N<3>}	109.1760	0.000	1	109.1760	0.000	1	109.2705	0.018	2	107.8179	12.820	56	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|C<3>,1|N<3>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<6>,1|N<3>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,3|C<3>}	103.3670	0.000	1	103.3670	0.000	1	103.3670	0.000	1	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|C<3>,1|H<1>,3|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	102.9060	0.000	1	102.9060	0.000	1	102.9060	0.000	1	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a]){1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.0400	0.000	1	105.0400	0.000	1	105.2135	0.060	2	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O[5a]){1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.3870	0.000	1	105.3870	0.000	1	105.2135	0.060	2	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	109.9330	0.153	2	109.9330	0.023	2	110.2492	0.102	5	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a]){1|Br<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|Br<1>,3|C<3>}	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,3|C<3>}	110.4590	0.000	1	110.4590	0.000	1	110.2492	0.102	5	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,3|C<3>}	110.6230	0.000	1	110.4605	0.053	2	110.2492	0.102	5	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	110.2980	0.000	1	110.4605	0.053	2	110.2492	0.102	5	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<5>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<5>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,3|C<3>}	101.9300	0.000	1	101.3118	0.280	6	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<6>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,3|C<3>}	101.3970	0.512	3	101.3118	0.280	6	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<6>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,3|C<3>}	100.8750	0.303	2	101.3118	0.280	6	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,2|F<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|H<1>,3|C<3>}	101.0250	0.542	4	101.0940	0.322	12	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|H<1>,3|C<3>}	101.1285	0.613	8	101.0940	0.322	12	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mg)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Mg<6>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Mg<6>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mg)(N[5a]C[5a]){1|C<4>,3|C<3>}	101.6865	0.028	2	101.6865	0.001	2	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Mn<6>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Mn<6>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]C[5a]){1|H<1>,3|C<3>}	101.5565	0.204	2	101.5565	0.042	2	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ni)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ni<6>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Ni<6>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ni)(N[5a]C[5a]){1|H<1>,3|C<3>}	101.4160	0.000	1	101.4160	0.000	1	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Zn<5>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Zn<5>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a]){1|H<1>,3|C<3>}	101.3080	0.000	1	101.2197	0.008	3	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Zn<6>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Zn<6>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Zn)(N[5a]C[5a]){1|H<1>,3|C<3>}	101.1755	0.060	2	101.2197	0.008	3	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a]){1|H<1>,3|C<3>}	100.8330	0.000	1	100.8330	0.000	1	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ir<6>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Ir<6>,1|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|H<1>,3|C<3>}	100.4970	0.000	1	100.4970	0.000	1	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ru<6>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	100.7550	0.000	1	100.7815	0.001	2	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Ru<6>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(N[5a]C[5a]){1|H<1>,3|C<3>}	100.8080	0.000	1	100.7815	0.001	2	101.1818	0.240	30	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2{1|C<4>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	103.3580	0.000	1	103.3580	0.000	1	103.0325	0.212	2	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	102.7070	0.000	1	102.7070	0.000	1	103.0325	0.212	2	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]O[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2){1|O<2>,1|S<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]O[5a]S)(N[5a]C[5a]){1|N<2>,3|C<3>}	105.2790	0.000	1	105.2790	0.000	1	105.2790	0.000	1	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|C<4>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,4|C<3>}	104.3135	0.388	2	104.7138	0.292	4	104.9915	0.230	8	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|C<4>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.1140	0.288	2	104.7138	0.292	4	104.9915	0.230	8	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<2>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.2055	0.317	2	105.2692	0.040	4	104.9915	0.230	8	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]O[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.3330	0.059	2	105.2692	0.040	4	104.9915	0.230	8	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5]C[5,6]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){2|C<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){6|C<3>}	111.4670	0.000	1	111.4670	0.000	1	111.1941	0.209	11	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){1|C<4>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|C<4>,4|C<3>}	111.6080	0.269	2	111.0810	0.345	6	111.1941	0.209	11	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){1|C<4>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|P<4>,4|C<3>}	111.0790	0.016	3	111.0810	0.345	6	111.1941	0.209	11	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){1|C<4>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|S<4>,4|C<3>}	110.0330	0.000	1	111.0810	0.345	6	111.1941	0.209	11	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){1|C<4>,1|P<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|O<1>,5|C<3>}	111.3430	0.100	2	111.4030	0.016	3	111.1941	0.209	11	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){1|C<4>,1|P<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|S<1>,5|C<3>}	111.5230	0.000	1	111.4030	0.016	3	111.1941	0.209	11	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5]C[5]S[5])(C[5a]S[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C[5]){1|C<4>,1|S<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]S[5a]C)(N[5a]C[5a]){2|O<1>,4|C<3>}	110.9730	0.000	1	110.9730	0.000	1	111.1941	0.209	11	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2){1|C<4>,1|S<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]C)(N[5a]C[5a]){1|N<2>,3|C<3>}	110.7220	0.051	2	110.7220	0.003	2	110.9188	0.412	6	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a]){4|C<3>}	111.3610	0.512	3	111.3610	0.262	3	110.9188	0.412	6	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]C)(N[5a]C[5a]){1|N<2>,3|C<3>}	109.9860	0.000	1	109.9860	0.000	1	110.9188	0.412	6	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|C<4>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,4|C<3>}	110.9775	0.682	2	111.0032	0.126	5	111.5669	0.686	11	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|C<4>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,4|C<3>}	111.0700	0.144	2	111.0032	0.126	5	111.5669	0.686	11	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|C<4>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	110.9210	0.000	1	111.0032	0.126	5	111.5669	0.686	11	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	112.6700	0.376	2	112.6700	0.142	2	111.5669	0.686	11	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	111.7200	0.837	4	111.7200	0.701	4	111.5669	0.686	11	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	110.7260	0.000	1	110.7260	0.000	1	110.1085	0.763	2	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	109.4910	0.000	1	109.4910	0.000	1	110.1085	0.763	2	106.1347	21.100	80	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:4:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]Cl)(C[6]S[6]2H)(N[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C[6]){1|Cl<1>,1|H<1>,2|C<3>,2|S<2>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]O[5a]Cl)(C[6]S[6]2H)(N[5a]C[5a]){1|C<3>,2|C<4>}	105.0560	0.000	1	105.0560	0.000	1	105.0560	0.000	1	105.0560	0.000	1	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	4:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[6]-4:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C[6])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(N[5a]O[5a])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C[6]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	102.4440	0.000	1	102.4440	0.000	1	102.4440	0.000	1	102.8863	0.097	8	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	4:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[3]-4:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C[3])	C[5a](C[5a]C[5a,6]N[5a])(N[5a]C[5a])(O[5a]N[5a])	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C[3]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a](C[5a]C[5a,6]N[5a])(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,2|N<3>}	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,4|H<1>}	102.9505	0.036	2	102.9505	0.001	2	102.9505	0.001	2	102.8863	0.097	8	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	4:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-4:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	102.4640	0.000	1	102.4640	0.000	1	102.4640	0.000	1	102.8863	0.097	8	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	4:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[3]-4:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,4|H<1>}	103.1280	0.099	2	103.0703	0.053	4	103.0703	0.053	4	102.8863	0.097	8	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:2:	4:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[3]-4:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]C[3]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[3]C[3]2H)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,4|H<1>}	103.0125	0.368	2	103.0703	0.053	4	103.0703	0.053	4	102.8863	0.097	8	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]C[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]S[5a]H){1|H<1>,2|N<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(H){1|C<3>,1|H<1>}	108.9843	0.170	3	108.9843	0.029	3	108.9843	0.029	3	108.9843	0.029	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:2:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	N[5a](C[5a]N[5a]N)2{1|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH){1|N<2>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){1|C<3>,1|N<3>}	103.0310	0.000	1	103.0310	0.000	1	103.0310	0.000	1	103.0310	0.000	1	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(COO)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(COO){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){2|C<3>}	110.7840	0.045	2	110.7840	0.002	2	110.3960	0.254	4	102.5926	14.186	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(COO){1|N<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){2|C<3>}	110.0080	0.399	2	110.0080	0.159	2	110.3960	0.254	4	102.5926	14.186	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]C[5])(C[5a]N[5a]N){1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2){1|C<3>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	100.8220	0.000	1	100.8220	0.000	1	100.8220	0.000	1	102.5926	14.186	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a]-2:N[5a]-2:C[6]-3:	N[5a](C[5a]N[5a]C[6])2	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])2{1|H<1>,4|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	102.4325	0.322	2	102.4325	0.104	2	102.4325	0.104	2	102.5926	14.186	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NHH)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)2{1|C<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NHH){1|N<3>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	101.7970	0.000	1	101.7970	0.000	1	100.7725	0.764	16	102.5926	14.186	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)2{1|C<3>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	101.5200	0.139	2	101.6898	0.046	4	100.7725	0.764	16	102.5926	14.186	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)2{1|C<3>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH){1|N<3>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	101.8595	0.047	2	101.6898	0.046	4	100.7725	0.764	16	102.5926	14.186	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHN)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)2{1|C<3>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHN){1|N<3>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	100.9142	0.200	4	100.9142	0.040	4	100.7725	0.764	16	102.5926	14.186	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)2	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)2{1|N<3>}	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(NOO){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){2|N<3>}	100.0209	0.678	7	100.0209	0.459	7	100.7725	0.764	16	102.5926	14.186	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(COO)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(COO){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	104.7590	0.000	1	104.7590	0.000	1	104.4250	0.223	2	104.4193	0.080	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](C[5a]O[5a]C[5])(N[5a]C[5a])(COO)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHN)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<4>}	C[5a](C[5a]O[5a]C[5])(N[5a]C[5a])(COO){1|C<4>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	104.0910	0.000	1	104.0910	0.000	1	104.4250	0.223	2	104.4193	0.080	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]O[5a]C)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(NCS)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]O[5a]C){1|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(NCS){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	104.5050	0.000	1	104.5050	0.000	1	104.5050	0.000	1	104.4193	0.080	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5]-3:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]N[5])(C[5a]O[5a]C)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(N[5]C[5]2)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CBrHH)	N[5a](C[5a]C[5a]N[5])(C[5a]O[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(N[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CBrHH){1|C<3>,1|N<3>}	104.3220	0.000	1	104.3220	0.000	1	104.3220	0.000	1	104.4193	0.080	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])(COO)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|O<1>,3|C<3>}	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	104.7550	0.000	1	104.7550	0.000	1	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHO){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	104.9000	0.000	1	104.9000	0.000	1	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	105.7533	0.216	3	105.7533	0.046	3	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	104.7245	0.385	2	104.7245	0.149	2	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	105.3385	0.446	2	105.3385	0.199	2	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	104.8732	0.316	5	104.8732	0.100	5	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	C[5a](N[5a]C[5a]Os)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|Os<6>,1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|Os<6>,1|H<1>}	C[5a](N[5a]C[5a]Os)(N[5a]C[5a])(H){2|C<3>}	103.9950	0.000	1	103.9950	0.000	1	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	C[5a](N[5a]C[5a]Ru)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|Ru<6>,1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|Ru<6>,1|H<1>}	C[5a](N[5a]C[5a]Ru)(N[5a]C[5a])(H){2|C<3>}	103.8150	0.000	1	103.8150	0.000	1	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.3470	0.000	1	104.3470	0.000	1	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|H<1>,1|S<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH){1|H<1>,1|S<4>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.7392	0.141	4	105.7392	0.020	4	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]C)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|H<1>,1|S<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]C){1|H<1>,1|S<4>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.5295	0.258	2	105.5295	0.067	2	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]H)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|H<1>,1|S<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]H){1|H<1>,1|S<4>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.8263	0.627	3	105.8263	0.393	3	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHO){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.4290	0.000	1	104.4290	0.000	1	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	104.9430	0.221	2	104.9430	0.049	2	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHN)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHN){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	104.8060	0.126	2	104.8060	0.016	2	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CNO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	104.8818	0.219	5	104.8818	0.048	5	105.0943	0.344	36	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|N<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	103.8590	0.000	1	103.8590	0.000	1	104.0065	0.044	2	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){2|H<1>,2|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.1540	0.000	1	104.1540	0.000	1	104.0065	0.044	2	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]N){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|Cl<1>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(Cl){1|H<1>,1|N<3>}	102.6930	0.000	1	102.6930	0.000	1	102.8120	0.028	2	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|Cl<1>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(Cl){1|H<1>,1|N<3>}	102.9310	0.000	1	102.9310	0.000	1	102.8120	0.028	2	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	103.7205	0.056	2	103.7205	0.003	2	103.8260	0.304	26	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	103.5640	0.170	5	103.4922	0.051	9	103.8260	0.304	26	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	103.4025	0.279	4	103.4922	0.051	9	103.8260	0.304	26	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|H<1>,1|S<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|H<1>,1|S<4>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	104.5140	0.000	1	104.5140	0.000	1	103.8260	0.304	26	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|N<2>,1|N<3>}	102.9370	0.000	1	103.8742	0.319	5	103.8260	0.304	26	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	104.1085	0.243	4	103.8742	0.319	5	103.8260	0.304	26	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|N<3>}	104.9320	0.307	2	104.9320	0.094	2	103.8260	0.304	26	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){2|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(H){2|N<3>}	105.0420	0.000	1	105.0420	0.000	1	103.8260	0.304	26	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|N<3>}	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a])(NOO){1|H<1>,3|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	103.6744	0.183	5	103.6744	0.034	5	103.8260	0.304	26	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]S)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H){1|C<4>,1|S<2>}	C[5a](C[5a]N[5a]S)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|N<3>,1|S<2>}	103.4420	0.000	1	103.4420	0.000	1	103.8260	0.304	26	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[6]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(N[6]C[6]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H){1|N<3>,3|C<4>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(N[6]C[6]2){3|C<4>,5|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	105.5944	0.284	5	105.5944	0.081	5	105.5944	0.081	5	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:I-1:	N[5a](C[5a]C[5a,6a]I)(C[5a]N[5a,6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(I)	N[5a](C[5a]C[5a,6a]I)(C[5a]N[5a,6a]C){2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(I){1|H<1>,3|C<3>}	106.5270	0.000	1	106.5270	0.000	1	106.5270	0.000	1	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:B-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[6a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[6a]N){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|B<3>,1|C<3>}	107.2130	0.000	1	107.2130	0.000	1	107.2130	0.000	1	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|N<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.9890	0.023	2	105.9890	0.001	2	105.5614	0.162	16	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	105.4960	0.000	1	105.4960	0.000	1	105.5614	0.162	16	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHN)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|N<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHN){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.6070	0.379	3	105.6070	0.143	3	105.5614	0.162	16	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<3>}	105.5036	0.482	8	105.5036	0.232	8	105.5614	0.162	16	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]O)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]O){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<3>}	105.3600	0.000	1	105.3600	0.000	1	105.5614	0.162	16	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){2|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){4|C<3>}	105.2990	0.000	1	105.2990	0.000	1	105.5614	0.162	16	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cd)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|Cd<6>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]Cd)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Cd<6>,1|C<3>}	107.1780	0.000	1	107.1780	0.000	1	104.8290	2.948	35	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|Co<6>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Co<6>,1|C<3>}	104.0624	1.715	7	104.0624	2.942	7	104.8290	2.948	35	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|Cu<4>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Cu<4>,1|C<3>}	107.7770	0.000	1	107.8380	0.007	2	104.8290	2.948	35	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|Cu<5>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Cu<5>,1|C<3>}	107.8990	0.000	1	107.8380	0.007	2	104.8290	2.948	35	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.6410	0.098	2	105.5838	0.583	16	104.8290	2.948	35	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,4|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.7185	0.718	14	105.5838	0.583	16	104.8290	2.948	35	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Mn)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|Mn<6>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]Mn)(N[5a]C[5a])(C[5]N[5]2){1|O<2>,2|C<4>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Mn<6>,1|C<3>}	103.3820	0.000	1	103.3820	0.000	1	104.8290	2.948	35	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Re)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|Re<6>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]Re)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Re<6>,1|C<3>}	102.1270	1.445	2	102.1270	2.089	2	104.8290	2.948	35	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Rh)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|Rh<5>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]Rh)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Rh<5>,1|C<3>}	102.8268	0.425	4	103.0272	0.337	5	104.8290	2.948	35	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Rh)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|Rh<6>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]Rh)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Rh<6>,1|C<3>}	103.8290	0.000	1	103.0272	0.337	5	104.8290	2.948	35	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ru)(N[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|Ru<6>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]Ru)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Ru<6>,1|C<3>}	105.6100	0.000	1	105.6100	0.000	1	104.8290	2.948	35	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]N[6]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]N[6]2){2|H<1>,2|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.2105	0.095	2	105.2105	0.009	2	105.2105	0.009	2	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(N[5]C[5]2)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(N[5]C[5]2){1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	104.0490	0.000	1	104.0490	0.000	1	104.0490	0.000	1	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCC){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<3>}	105.7950	0.000	1	105.7950	0.000	1	105.8464	0.190	9	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<3>}	106.1350	0.000	1	106.1350	0.000	1	105.8464	0.190	9	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<3>}	105.8796	0.552	5	105.8796	0.305	5	105.8464	0.190	9	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PCC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<3>}	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PCC){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|P<3>}	105.9000	0.000	1	105.9000	0.000	1	105.8464	0.190	9	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC[6a]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<3>}	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC[6a]2){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|P<3>}	105.3900	0.000	1	105.3900	0.000	1	105.8464	0.190	9	104.8978	1.473	137	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>,1|S<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH){1|N<2>,1|S<4>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(NN){1|C<3>,1|H<1>}	104.8140	0.000	1	104.8140	0.000	1	104.8140	0.000	1	103.9993	2.483	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O){1|H<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SC){2|C<3>}	105.0010	0.000	1	105.0010	0.000	1	105.0010	0.000	1	103.9993	2.483	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(OC)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|O<2>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(OC){1|H<1>,1|N<3>}	102.1830	0.000	1	102.1830	0.000	1	102.1830	0.000	1	103.9993	2.483	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5,5a]-3:N[5a]-2:N-3:	C[5,5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5,5a]N)2	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(NOO)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5,5a]N)2{2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(NOO){1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(NOO){1|C<3>,1|N<2>,2|N<3>}	106.2340	0.000	1	106.2340	0.000	1	106.2340	0.000	1	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<2>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCN){1|C<2>,1|C<3>}	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NHH){1|C<3>,1|C<4>}	104.2243	0.105	3	104.2243	0.011	3	104.2243	0.011	3	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6]){1|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	105.7623	0.437	3	105.7623	0.191	3	105.7623	0.191	3	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCH){1|H<1>,1|N<3>}	103.7840	0.137	2	103.7840	0.019	2	103.7477	0.013	3	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(COO){1|H<1>,1|N<3>}	103.6750	0.000	1	103.6750	0.000	1	103.7477	0.013	3	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|N<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NOO){1|H<1>,1|N<3>}	102.4340	0.000	1	102.4340	0.000	1	103.0123	0.668	3	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N){1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(NOO){1|H<1>,1|N<3>}	102.6560	0.000	1	102.6560	0.000	1	103.0123	0.668	3	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N){2|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){2|N<3>}	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(NOO){2|N<3>}	103.9470	0.000	1	103.9470	0.000	1	103.0123	0.668	3	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|Co<6>,3|C<3>}	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|Co<6>,1|C<3>}	104.3100	0.000	1	104.3100	0.000	1	104.8630	0.214	5	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|Fe<6>,3|C<3>}	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|Fe<6>,1|C<3>}	104.4600	0.000	1	104.4600	0.000	1	104.8630	0.214	5	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	105.4140	0.000	1	105.1817	0.041	3	104.8630	0.214	5	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	105.0655	0.018	2	105.1817	0.041	3	104.8630	0.214	5	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NOO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NOO){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|N<3>}	102.8065	0.695	2	102.8065	0.483	2	103.0557	0.428	3	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(NOO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N){1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(NOO){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){2|N<3>}	103.5540	0.000	1	103.5540	0.000	1	103.0557	0.428	3	104.5823	3.189	22	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CNO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6]HH){2|C<3>}	105.0540	0.000	1	105.0540	0.000	1	105.8127	0.573	6	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CNO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CN[6a]HH){2|C<3>}	105.5650	0.000	1	105.5650	0.000	1	105.8127	0.573	6	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	105.6710	0.000	1	105.6710	0.000	1	105.8127	0.573	6	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|C<3>}	105.5360	0.000	1	105.5360	0.000	1	105.8127	0.573	6	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHN)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHN){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.5250	1.058	2	106.5250	1.119	2	105.8127	0.573	6	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	110.0240	0.000	1	110.0240	0.000	1	107.5930	11.820	2	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,2|C<4>,4|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	105.1620	0.000	1	105.1620	0.000	1	107.5930	11.820	2	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO){2|C<3>,2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	104.1013	0.247	3	104.1013	0.061	3	104.3121	0.365	15	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|N<3>}	104.0670	0.000	1	104.0670	0.000	1	104.3121	0.365	15	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|Br<1>,1|H<1>}	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>}	104.9330	0.000	1	104.9330	0.000	1	104.3121	0.365	15	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<2>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<2>,1|N<3>}	104.4120	0.113	2	104.1483	0.215	3	104.3121	0.365	15	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	103.6210	0.000	1	104.1483	0.215	3	104.3121	0.365	15	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	103.2780	0.242	2	103.2780	0.058	2	104.3121	0.365	15	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|N<3>}	104.8660	0.000	1	104.8660	0.000	1	104.3121	0.365	15	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a])(NOO)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|N<3>}	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a])(NOO){4|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|N<3>}	104.8775	0.194	4	104.8775	0.038	4	104.3121	0.365	15	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:S-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SRh2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]S){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SRh2){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|S<3>}	105.8655	0.088	2	105.8655	0.008	2	105.8655	0.008	2	105.0590	1.905	25	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CC[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CC[5a]O){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	104.8860	0.000	1	104.8860	0.000	1	105.3180	0.373	2	105.6060	0.435	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O){1|C<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.7500	0.000	1	105.7500	0.000	1	105.3180	0.373	2	105.6060	0.435	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6]){1|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.1820	0.000	1	106.1820	0.000	1	106.1820	0.000	1	105.6060	0.435	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:O[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]O[5a]H)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CHHO)	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]H){1|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CHHO){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){1|C<3>,1|C<4>}	104.1660	0.000	1	104.1660	0.000	1	104.1660	0.000	1	106.1770	13.749	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:Cl-1:	N[5a](C[5a]S[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CN[5]HH)	C[5a](N[5a]C[5a])(S[5a]C[5a])(Cl)	N[5a](C[5a]S[5a]Cl)(C[5a]C[5a]C){1|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CN[5]HH){1|Cl<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(Cl){1|C<4>,1|H<1>}	108.8270	0.000	1	108.8270	0.000	1	108.8270	0.000	1	106.1770	13.749	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H){1|C<4>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(H){2|C<4>}	109.8850	0.000	1	110.0477	0.064	3	110.3206	0.136	7	106.1770	13.749	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H){1|C<4>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){2|C<4>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(H){2|C<4>}	110.1290	0.298	2	110.0477	0.064	3	110.3206	0.136	7	106.1770	13.749	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H)	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H){1|C<4>}	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3){1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(H){2|C<4>}	110.6305	0.503	2	110.5252	0.100	4	110.3206	0.136	7	106.1770	13.749	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H)	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]H){1|C<4>}	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(H){2|C<4>}	110.4200	0.044	2	110.5252	0.100	4	110.3206	0.136	7	106.1770	13.749	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|C<4>}	103.8395	0.054	2	103.8395	0.003	2	103.8395	0.003	2	106.1770	13.749	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Cu)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Cu){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|P<4>}	101.8960	0.315	2	101.8960	0.099	2	102.6100	0.278	7	106.1770	13.749	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Pd)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Pd){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|P<4>}	102.8550	0.288	2	102.8550	0.083	2	102.6100	0.278	7	106.1770	13.749	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Ru)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]P){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Ru){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|P<4>}	102.9227	0.161	3	102.9227	0.026	3	102.6100	0.278	7	106.1770	13.749	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){2|C<4>}	110.8920	0.399	3	110.8920	0.159	3	110.8920	0.159	3	110.8920	0.159	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<3>,1|C<4>}	110.5715	0.408	2	110.5715	0.166	2	110.8830	0.472	10	110.8830	0.472	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C){1|C<3>,1|C<4>}	110.3480	0.485	4	110.3480	0.235	4	110.8830	0.472	10	110.8830	0.472	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CC3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|N<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CC3){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<4>,1|N<3>}	111.8130	0.000	1	111.8130	0.000	1	110.8830	0.472	10	110.8830	0.472	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CC3){1|N<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){2|C<4>}	111.5880	0.014	2	111.5880	0.000	2	110.8830	0.472	10	110.8830	0.472	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]N){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|N<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){2|C<4>}	111.3060	0.000	1	111.3060	0.000	1	110.8830	0.472	10	110.8830	0.472	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC[6a]HO)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC[6a]HO){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	105.2360	0.000	1	105.2360	0.000	1	105.0777	0.042	3	108.9955	13.029	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]CH)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<4>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<4>}	104.8450	0.000	1	104.8450	0.000	1	105.0777	0.042	3	108.9955	13.029	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]O[5a]C){1|C<4>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<4>}	105.1520	0.000	1	105.1520	0.000	1	105.0777	0.042	3	108.9955	13.029	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	111.4320	0.000	1	111.4320	0.000	1	111.5467	0.221	7	108.9955	13.029	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	111.0330	0.000	1	111.0330	0.000	1	111.5467	0.221	7	108.9955	13.029	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CC[6a]2H){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	111.2310	0.000	1	111.2310	0.000	1	111.5467	0.221	7	108.9955	13.029	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	111.8600	0.000	1	111.8600	0.000	1	111.5467	0.221	7	108.9955	13.029	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CHHS)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(CHHS){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	111.7500	0.000	1	111.7500	0.000	1	111.5467	0.221	7	108.9955	13.029	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<4>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){2|C<4>}	111.1610	0.000	1	111.1610	0.000	1	111.5467	0.221	7	108.9955	13.029	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]S[5a]C){1|C<3>}	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a])(CH3){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|C<4>}	112.3600	0.000	1	112.3600	0.000	1	111.5467	0.221	7	108.9955	13.029	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)2	C[5a](N[5a]Nb[3x3]N[5a])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)2{1|Nb<8>}	C[5a](N[5a]Nb[3x3]N[5a])(N[5a]C[5a])(CH3){1|C<4>,7|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|Nb<8>,1|C<4>}	102.8910	0.000	1	102.8910	0.000	1	102.8910	0.000	1	108.9955	13.029	11	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(CH3)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H){1|C<3>,1|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	105.7660	0.000	1	105.7660	0.000	1	105.7660	0.000	1	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:F-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]F)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(F)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]F){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|F<1>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(F){1|C<4>,1|H<1>}	102.7470	0.000	1	102.7470	0.000	1	102.7470	0.000	1	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.2620	0.000	1	105.2620	0.000	1	105.3099	0.307	26	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]2H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]2H){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<4>}	105.6567	0.374	3	105.6567	0.140	3	105.3099	0.307	26	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	105.3065	0.288	2	105.3065	0.083	2	105.3099	0.307	26	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.7640	0.000	2	105.7640	0.000	2	105.3099	0.307	26	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.1320	0.000	1	105.1672	0.944	6	105.3099	0.307	26	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.1742	1.086	5	105.1672	0.944	6	105.3099	0.307	26	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]2H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]2H){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.3030	0.000	1	105.3030	0.000	1	105.3099	0.307	26	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H){1|B<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3){1|B<4>,1|H<1>}	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.2163	0.400	11	105.2163	0.160	11	105.3099	0.307	26	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:P-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(PC[6a]2Cu)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H){1|C<4>,1|P<4>}	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(PC[6a]2Cu){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|P<4>}	105.2820	0.628	2	105.2820	0.394	2	103.8558	1.434	6	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:P-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(PC[6a]2Ni)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H){1|C<4>,1|P<4>}	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(PC[6a]2Ni){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|P<4>}	102.8100	0.192	2	102.8100	0.037	2	103.8558	1.434	6	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:P-4:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(PC[6a]2Pd)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H){1|C<4>,1|P<4>}	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(PC[6a]2Pd){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|P<4>}	103.4755	0.439	2	103.4755	0.193	2	103.8558	1.434	6	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:Cl-1:	N[5a](C[5a]C[5a,6a]Cl)(C[5a]N[5a,6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a,6a]Cl)(C[5a]N[5a,6a]C){2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	105.7260	0.249	2	105.7260	0.062	2	105.7260	0.062	2	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){2|C<4>}	104.0330	0.371	3	104.3355	0.458	4	104.4467	0.222	8	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){2|C<4>}	105.2430	0.000	1	104.3355	0.458	4	104.4467	0.222	8	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	104.5580	0.167	4	104.5580	0.028	4	104.4467	0.222	8	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCCH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCCH){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	105.3280	0.000	1	105.3280	0.000	1	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	105.9560	0.361	2	105.9560	0.130	2	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]2O)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5]2O){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	105.3390	0.000	1	105.3390	0.000	1	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]CO){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	107.2610	0.255	4	107.2610	0.065	4	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HS)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HS){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	104.9970	0.000	1	104.9970	0.000	1	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	107.0677	2.001	6	107.0677	4.005	6	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|N<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.3550	0.000	1	106.1937	0.505	43	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|N<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){2|C<4>}	106.2137	0.707	42	106.1937	0.505	43	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	105.1315	0.436	4	105.1315	0.190	4	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHO){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	105.0547	0.351	10	105.0547	0.123	10	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	104.1560	0.175	2	104.1560	0.031	2	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|N<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){2|C<4>}	105.6070	0.000	1	105.6070	0.000	1	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCCO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCCO){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	106.3190	0.000	1	106.3190	0.000	1	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	107.5840	0.000	1	107.5840	0.000	1	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.8660	0.000	1	105.8660	0.000	1	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(CCCH)	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Co<5>,1|P<3>}	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(CCCH){1|H<1>,1|P<3>}	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(H){1|Co<5>,1|C<4>}	108.5430	0.000	1	108.5430	0.000	1	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Cu<5>,1|C<3>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|Cu<5>,1|C<4>}	104.3200	0.000	1	104.3200	0.000	1	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|Fe<6>,1|C<3>}	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|Fe<6>,1|C<4>}	106.5267	1.535	3	106.5267	2.356	3	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.1000	0.000	1	105.1000	0.000	1	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|N<2>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.0530	0.000	1	105.0530	0.000	1	106.0319	1.167	85	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Pd)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Pd){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<4>}	105.3195	0.197	2	105.3195	0.039	2	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Pt)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Pt){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<4>}	105.5165	0.360	2	105.5165	0.130	2	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Ru)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Ru){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<4>}	105.5225	0.400	2	105.5225	0.160	2	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Se)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2Se){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<4>}	105.3783	0.223	3	105.3783	0.050	3	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCCO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCCO){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	105.7220	0.000	1	105.7220	0.000	1	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCHO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCHO){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	105.2190	0.000	1	105.2190	0.000	1	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6]2Pd)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6]2Pd){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	105.3800	0.000	1	105.3800	0.000	1	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2C){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	105.5140	0.000	1	105.5140	0.000	1	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2Ir)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2Ir){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	105.7110	0.000	1	105.7110	0.000	1	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2Pd)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2Pd){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	105.3830	0.573	2	105.3830	0.328	2	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PPdCO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PPdCO){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	107.8225	3.023	4	107.8225	9.139	4	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PC[6a]2Ir)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PC[6a]2Ir){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|P<4>}	104.2820	0.000	1	104.2820	0.000	1	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<4>}	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC3){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|P<4>}	105.6125	0.009	2	105.6125	0.000	2	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC[6a]2Pd)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<4>}	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC[6a]2Pd){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|P<4>}	104.6650	0.000	1	104.6650	0.000	1	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PPdCC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P){1|H<1>,1|P<4>}	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PPdCC){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|P<4>}	105.0790	0.337	3	105.0790	0.114	3	105.6986	1.999	27	105.6622	1.427	156	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(SH)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|S<2>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(SH){2|C<4>}	104.6450	0.000	1	104.6450	0.000	1	104.6450	0.000	1	104.6450	0.000	1	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]N){1|C<3>,1|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH){1|C<4>,2|C<3>}	107.1870	0.000	1	107.1870	0.000	1	108.2183	1.558	3	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NIrC)	N[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]N){1|C<3>,1|N<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NIrC){1|C<4>,2|C<3>}	108.7340	1.233	2	108.7340	1.521	2	108.2183	1.558	3	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NCH){1|C<3>,1|C<4>}	105.2630	0.000	1	105.2630	0.000	1	105.1120	0.022	5	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NHH){1|C<4>,3|C<3>}	105.1385	0.182	2	105.1385	0.033	2	105.1120	0.022	5	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NCH){1|C<4>,1|H<1>}	105.0100	0.106	2	105.0100	0.011	2	105.1120	0.022	5	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a,6]N)(C[5a]N[5a,6]C)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3)	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a,6]N)(C[5a]N[5a,6]C){1|C<3>,1|C<4>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a])(NOO){2|C<3>,2|C<4>}	104.3010	0.000	1	104.3010	0.000	1	104.3010	0.000	1	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){2|C<4>}	105.4342	0.502	6	105.4342	0.252	6	105.3623	0.177	9	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){2|C<4>}	105.2187	0.185	3	105.2187	0.034	3	105.3623	0.177	9	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	104.7740	0.000	1	104.7740	0.000	1	104.5227	0.219	44	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|Br<1>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>}	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(NOO){2|C<4>}	104.4470	0.758	2	104.4470	0.575	2	104.5227	0.219	44	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|Cl<1>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|N<3>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(NOO){2|C<4>}	104.5690	0.000	1	104.5690	0.000	1	104.5227	0.219	44	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){2|C<4>}	104.0121	0.392	8	104.0121	0.153	8	104.5227	0.219	44	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]S)(N[5a]C[5a])(NCC)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|S<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|N<3>,1|S<4>}	C[5a](C[5a]N[5a]S)(N[5a]C[5a])(NCC){2|C<4>}	106.1160	0.000	1	106.1160	0.000	1	104.5227	0.219	44	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NCH){2|C<4>}	105.0110	0.639	2	105.0110	0.409	2	104.5227	0.219	44	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|Br<1>,1|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	104.7690	0.267	7	104.7690	0.071	7	104.5227	0.219	44	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<2>,1|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|C<2>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	104.6640	0.055	2	104.5637	0.032	3	104.5227	0.219	44	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){2|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	104.3630	0.000	1	104.5637	0.032	3	104.5227	0.219	44	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	104.4388	0.207	17	104.4388	0.043	17	104.5227	0.219	44	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|N<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|N<3>}	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a])(NOO){1|C<3>,3|C<4>}	104.9850	0.000	1	104.9850	0.000	1	104.5227	0.219	44	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]O)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C){1|C<3>,1|O<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	105.0090	0.000	1	105.0090	0.000	1	104.5227	0.219	44	104.8674	0.914	62	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HS)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HS){2|C<3>,2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|C<4>}	105.2970	0.000	1	105.2970	0.000	1	106.4803	1.920	11	106.3543	1.065	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){2|C<4>}	105.9444	0.082	5	105.9444	0.007	5	106.4803	1.920	11	106.3543	1.065	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|Cu<4>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|Cu<4>,1|C<4>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(CCHH){2|C<4>}	109.2410	0.023	2	109.2410	0.001	2	106.4803	1.920	11	106.3543	1.065	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<4>}	105.9273	0.295	3	105.9273	0.087	3	106.4803	1.920	11	106.3543	1.065	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCCH)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PIrCC)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCCH){1|H<1>,1|P<4>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(PIrCC){2|C<4>}	105.4600	0.000	1	105.4600	0.000	1	105.4600	0.000	1	106.3543	1.065	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:P-4:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(PC[6a]2Au)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(PC[6a]2Au){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|H<1>,1|P<4>}	105.7920	0.000	1	105.7920	0.000	1	105.7920	0.000	1	106.3543	1.065	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHS)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>,1|N<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHS){2|C<4>}	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	106.3543	1.065	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PPdCC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PPdCC){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|P<4>}	106.4352	0.629	6	106.4352	0.396	6	106.3313	0.358	9	106.3543	1.065	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PRuCC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P){1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PRuCC){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|P<4>}	105.9235	0.672	2	105.9235	0.452	2	106.3313	0.358	9	106.3543	1.065	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[5a]2Pd)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P){1|C<3>,1|C<4>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[5a]2Pd){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|P<4>}	106.5240	0.000	1	106.5240	0.000	1	106.3313	0.358	9	106.3543	1.065	23	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]S[5a]H)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]S[5a]H){3|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(H){2|C<3>}	110.9720	0.733	2	110.9720	0.537	2	110.6213	0.637	3	106.3102	13.248	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]S[5a]H)	C[5a](C[5a]N[5a]2)(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]S[5a]H){1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(C[5a]S[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(H){1|C<3>,1|H<1>}	109.9200	0.000	1	109.9200	0.000	1	110.6213	0.637	3	106.3102	13.248	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H){3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){2|C<3>}	104.9750	0.000	1	104.9750	0.000	1	104.6117	0.427	3	106.3102	13.248	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H)	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]H){3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){2|C<3>}	104.4300	0.810	2	104.4300	0.657	2	104.6117	0.427	3	106.3102	13.248	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:Br-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]Br)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(Br)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]Br){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(Br){1|C<3>,1|H<1>}	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	106.3102	13.248	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|C<4>}	102.3370	0.000	1	102.3370	0.000	1	102.3370	0.000	1	106.3102	13.248	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|C<4>}	102.7195	0.342	2	102.7195	0.117	2	102.7195	0.117	2	106.3102	13.248	10	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:S-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]S)	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(SSn)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]S){3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(SSn){2|C<3>}	105.2120	0.000	1	105.2120	0.000	1	105.2120	0.000	1	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){3|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NN){2|C<3>}	110.7100	0.000	1	110.7100	0.000	1	110.7424	0.250	9	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<3>,1|N<3>}	110.9345	0.392	2	110.9345	0.154	2	110.7424	0.250	9	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|Br<1>,2|C<3>}	C[5a](C[5a]S[5a]Br)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NH){1|Br<1>,1|C<3>}	111.6690	0.000	1	111.6690	0.000	1	110.7424	0.250	9	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<3>,1|C<4>}	110.1750	0.000	1	110.1750	0.000	1	110.7424	0.250	9	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<3>,1|H<1>}	110.6240	0.000	1	110.5648	0.155	4	110.7424	0.250	9	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<3>,1|H<1>}	110.5450	0.480	3	110.5648	0.155	4	110.7424	0.250	9	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:S-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]S)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]S){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC){1|C<3>,1|H<1>}	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:S-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<3>,1|C<4>}	102.5430	0.000	1	102.8813	0.134	3	102.8813	0.134	3	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:S-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<3>,1|C<4>}	103.0505	0.310	2	102.8813	0.134	3	102.8813	0.134	3	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:O-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(OC)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(OC){1|C<3>,1|H<1>}	102.2775	0.095	2	102.2775	0.009	2	102.2775	0.009	2	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:S-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC[6a]){1|C<3>,1|H<1>}	103.2130	0.000	1	103.2130	0.000	1	103.1885	0.001	2	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:S-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS){1|C<3>,1|H<1>}	103.1640	0.000	1	103.1640	0.000	1	103.1885	0.001	2	107.2984	15.465	18	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[5])(C[5a]S[5a]N)	C[5a](C[5]C[5]N[5])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[5])(C[5a]S[5a]N){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5]C[5]N[5])(C[5a]S[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	109.5225	0.487	2	109.5225	0.237	2	109.5225	0.237	2	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]2)(C[5a]S[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]2)(C[5a]S[5a]N){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	111.3928	1.848	4	111.3928	3.414	4	110.9560	2.629	6	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]2)(C[5a]S[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHN)	N[5a](C[5a]C[5a]2)(C[5a]S[5a]N){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHN){1|C<3>,1|H<1>}	109.5280	0.000	1	109.5280	0.000	1	110.9560	2.629	6	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]2)(C[5a]S[5a]N)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]2)	N[5a](C[5a]C[5a]2)(C[5a]S[5a]N){1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]2){2|C<3>}	110.6370	0.000	1	110.6370	0.000	1	110.9560	2.629	6	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]O){2|C<3>}	105.1100	0.000	1	105.1100	0.000	1	105.1100	0.000	1	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]N)	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]N){3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH){2|C<3>}	104.0050	0.000	1	104.0050	0.000	1	104.0050	0.000	1	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCC){1|C<3>,1|H<1>}	111.1080	0.000	1	111.1080	0.000	1	111.1080	0.000	1	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC){2|C<3>}	111.0980	0.000	1	111.0980	0.000	1	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){1|C<3>,1|N<3>}	111.7640	0.000	1	111.7640	0.000	1	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|N<3>}	110.8620	0.000	1	110.8620	0.000	1	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){3|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC){2|C<3>}	110.6630	0.000	1	110.6630	0.000	1	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<3>,1|C<4>}	110.5260	0.000	1	110.5260	0.000	1	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){3|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6]H){2|C<3>}	109.8590	0.000	1	109.8590	0.000	1	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){3|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){2|C<3>}	110.5040	0.000	1	110.5040	0.000	1	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|C<4>}	112.5590	0.000	1	111.8975	0.875	2	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){3|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){2|C<3>}	111.2360	0.000	1	111.8975	0.875	2	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC){1|C<3>,1|H<1>}	110.0640	0.000	1	110.0640	0.000	1	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<3>,1|H<1>}	110.2170	0.000	1	110.1505	0.176	12	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<3>,1|H<1>}	110.1445	0.440	11	110.1505	0.176	12	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){1|C<3>,1|H<1>}	110.0060	0.255	2	110.0060	0.065	2	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	110.0760	0.302	4	110.3105	0.165	8	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	110.4100	0.000	1	110.3105	0.165	8	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	111.0930	0.000	1	110.3105	0.165	8	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	110.3385	0.203	2	110.3105	0.165	8	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHN)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHN){1|C<3>,1|H<1>}	109.3336	0.359	7	109.4853	0.360	16	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHN)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHN){1|C<3>,1|H<1>}	109.6033	0.736	9	109.4853	0.360	16	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NSS)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NSS){1|C<3>,1|H<1>}	109.9365	0.418	2	109.9365	0.175	2	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|I<1>,2|C<3>}	C[5a](C[5a]S[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<3>,1|I<1>}	111.4190	0.120	2	111.4190	0.014	2	110.1522	0.608	52	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N[5]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|H<1>,4|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|H<1>,2|O<1>,3|C<3>}	110.0850	0.100	3	110.0850	0.010	3	110.0850	0.010	3	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N[6]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6])	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6]){2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	110.3365	0.357	2	110.3365	0.128	2	110.7657	0.616	3	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N[6]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6])	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6]){2|C<3>,3|C<4>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){1|C<3>,3|C<4>,4|H<1>}	111.6240	0.000	1	111.6240	0.000	1	110.7657	0.616	3	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6]-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	103.9470	0.000	1	103.9470	0.000	1	103.9470	0.000	1	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	101.5090	1.216	2	101.4376	0.388	5	101.1235	0.228	20	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,3|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	101.3000	0.000	1	101.4376	0.388	5	101.1235	0.228	20	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,3|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	101.5850	0.000	1	101.4376	0.388	5	101.1235	0.228	20	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	101.2850	0.000	1	101.4376	0.388	5	101.1235	0.228	20	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<4>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|C<4>}	101.0738	0.181	5	101.0738	0.033	5	101.1235	0.228	20	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	100.5237	0.065	3	100.8774	0.277	5	101.1235	0.228	20	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,2|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	101.4080	0.400	2	100.8774	0.277	5	101.1235	0.228	20	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|N<2>,1|N<3>,1|O<1>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|O<1>}	101.1054	0.429	5	101.1054	0.184	5	101.1235	0.228	20	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]S[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	110.7470	0.000	1	110.7470	0.000	1	110.4322	0.057	4	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(C[5a]S[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	110.3273	0.139	3	110.3273	0.019	3	110.4322	0.057	4	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6]-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	102.7280	0.000	1	103.0895	0.261	2	103.0895	0.261	2	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6]-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	103.4510	0.000	1	103.0895	0.261	2	103.0895	0.261	2	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<3>,1|H<1>}	102.8580	0.000	1	102.8580	0.000	1	102.8580	0.000	1	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](N[5a]N[5a]Ni)(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|Ni<6>,1|N<2>,1|N<3>}	C[5a](N[5a]N[5a]Ni)(C[5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|Ni<6>,1|C<3>}	99.1855	0.188	2	99.1855	0.035	2	99.1855	0.035	2	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-3:	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(COO)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]C){3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]2)(N[5a]C[5a]){1|H<1>,1|N<2>,5|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(COO){1|C<3>,1|N<3>}	101.7690	0.000	1	101.7690	0.000	1	101.7690	0.000	1	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|H<1>,1|N<3>}	99.2666	0.119	2	99.2666	0.014	2	99.2666	0.014	2	107.5620	17.881	102	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHH){2|C<3>}	105.5350	0.326	6	105.5350	0.107	6	105.3032	0.444	13	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	106.4410	0.000	1	106.4410	0.000	1	105.3032	0.444	13	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3){2|C<3>}	104.7850	0.000	1	104.7850	0.000	1	105.3032	0.444	13	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){3|C<3>}	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	104.5530	0.000	1	104.5530	0.000	1	105.3032	0.444	13	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](C[5a]O[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]O[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3){1|C<3>,1|H<1>}	104.0800	0.000	1	104.0800	0.000	1	105.3032	0.444	13	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](C[5a]O[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]O[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	105.2655	0.917	2	105.2655	0.841	2	105.3032	0.444	13	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](C[5a]O[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a]O[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	105.3410	0.000	1	105.3410	0.000	1	105.3032	0.444	13	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	111.8760	0.000	1	111.8760	0.000	1	111.6587	0.142	4	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[5a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[5a]HH){1|C<3>,1|H<1>}	111.1060	0.000	1	111.1060	0.000	1	111.6587	0.142	4	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]CH)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CC[6]CH){1|C<3>,1|H<1>}	111.7370	0.000	1	111.7370	0.000	1	111.6587	0.142	4	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(CH3){1|C<3>,1|H<1>}	111.9160	0.000	1	111.9160	0.000	1	111.6587	0.142	4	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|C<3>,1|H<1>}	101.3060	0.000	1	101.3060	0.000	1	101.3060	0.000	1	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6,6a]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	C[5a](C[6]C[6,6a]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|Ir<6>,1|C<3>}	101.7530	0.000	1	101.7530	0.000	1	100.5213	0.287	23	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Cu<4>,1|C<3>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Cu<4>,1|C<3>}	100.0726	0.249	4	100.0726	0.062	4	100.5213	0.287	23	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|Ir<6>,1|C<3>}	101.0055	0.087	2	101.0055	0.008	2	100.5213	0.287	23	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF){1|Ir<6>,1|C<3>}	99.8720	0.000	1	99.8720	0.000	1	100.5213	0.287	23	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Ir<6>,1|C<3>}	99.9573	0.000	1	99.9573	0.000	1	100.5213	0.287	23	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Ir<6>,1|C<3>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|Ir<6>,1|C<3>}	100.7570	0.000	1	100.7570	0.000	1	100.5213	0.287	23	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Os<6>,1|C<3>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Os<6>,1|C<3>}	100.2821	0.366	4	100.2821	0.134	4	100.5213	0.287	23	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pd<4>,1|C<3>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH){1|Pd<4>,1|C<3>}	100.7010	0.000	1	100.7010	0.000	1	100.5213	0.287	23	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pd<4>,1|C<3>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|Pd<4>,1|C<3>}	101.6460	0.000	1	101.6460	0.000	1	100.5213	0.287	23	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pt<4>,1|C<3>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|Pt<4>,1|C<3>}	101.0430	0.000	1	101.0430	0.000	1	100.5213	0.287	23	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pt<3>,1|C<3>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Pt<3>,1|C<3>}	100.4460	0.426	2	100.4720	0.062	6	100.5213	0.287	23	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){1|Pt<4>,1|C<3>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|Pt<4>,1|C<3>}	100.4850	0.206	4	100.4720	0.062	6	100.5213	0.287	23	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF){1|C<3>,1|C<4>}	102.4950	0.000	1	102.4950	0.000	1	102.4950	0.000	1	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>}	103.5590	0.429	2	103.5590	0.184	2	103.5590	0.184	2	103.1474	12.214	44	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,4|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.5299	0.403	7	104.5299	0.162	7	104.5299	0.162	7	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]C[5a])(C[5a]N[5a,6]H)	C[5a](C[5a,6]N[5a,6]N[5,6])(C[5a]N[5a]O[5a])(N[5a]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[5a])(C[5a]N[5a,6]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a,6]N[5a,6]N[5,6])(C[5a]N[5a]O[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	106.0935	0.231	2	106.0935	0.053	2	106.0935	0.053	2	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){4|C<3>}	107.9280	0.000	1	107.9280	0.000	1	107.9280	0.000	1	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H){4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	106.5080	0.000	1	106.5080	0.000	1	106.5080	0.000	1	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	105.7480	0.000	1	105.7480	0.000	1	105.2220	1.104	14	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	103.9890	0.000	1	103.9890	0.000	1	105.2220	1.104	14	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	104.7650	0.257	2	104.7650	0.066	2	105.2220	1.104	14	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,3|N<2>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	107.0260	0.000	1	107.0260	0.000	1	105.2220	1.104	14	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.9320	0.299	3	104.9320	0.089	3	105.2220	1.104	14	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]Os)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|Os<6>,1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(N[5a]C[5a]){1|Os<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Os)(N[5a]C[5a])(H){2|C<3>}	104.9490	0.000	2	104.9490	0.000	2	105.2220	1.104	14	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	105.6110	0.000	1	105.6110	0.000	1	105.2220	1.104	14	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	104.6690	0.000	1	104.6690	0.000	1	105.2220	1.104	14	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]Mn)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|Mn<6>,1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]2)(N[5a]C[5a]){2|Mn<6>,1|H<1>,2|N<2>,2|N<3>}	C[5a](N[5a]C[5a]Mn)(N[5a]C[5a])(H){2|C<3>}	107.7650	0.000	1	107.7650	0.000	1	105.2220	1.104	14	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|N<2>,1|O<2>,2|C<4>}	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	104.0760	0.000	1	104.0760	0.000	1	105.2220	1.104	14	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	105.4634	0.733	5	105.3658	0.326	9	105.1413	0.275	21	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	105.2438	0.342	4	105.3658	0.326	9	105.1413	0.275	21	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<2>,3|C<3>}	105.4310	0.000	1	105.4645	0.002	2	105.1413	0.275	21	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|C<3>}	105.4980	0.000	1	105.4645	0.002	2	105.1413	0.275	21	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|Fe<5>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Fe<5>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]Fe)(N[5a]C[5a])(H){2|C<3>}	103.9250	0.000	1	103.9250	0.000	1	105.1413	0.275	21	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	104.9220	0.285	5	104.9220	0.081	5	105.1413	0.275	21	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	104.9370	0.000	1	104.9370	0.000	1	105.1413	0.275	21	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.0917	0.251	3	105.0917	0.063	3	105.1413	0.275	21	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	104.9140	0.000	1	104.9140	0.000	1	105.1291	0.843	95	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.6770	0.000	1	105.6770	0.000	1	105.1291	0.843	95	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<3>}	105.7480	0.000	1	105.3774	0.887	60	105.1291	0.843	95	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.4080	0.000	1	105.3774	0.887	60	105.1291	0.843	95	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.5844	0.958	32	105.3774	0.887	60	105.1291	0.843	95	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.1071	0.905	26	105.3774	0.887	60	105.1291	0.843	95	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.1225	0.630	2	105.1225	0.397	2	105.1291	0.843	95	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.5807	0.695	27	104.6383	0.499	31	105.1291	0.843	95	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.0275	0.754	4	104.6383	0.499	31	105.1291	0.843	95	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Co)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Co)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Co<6>,1|C<3>}	103.0415	0.107	2	103.0415	0.011	2	104.5397	6.214	6	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|Fe<5>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Fe<5>,1|C<3>}	102.8350	0.223	2	102.8350	0.050	2	104.5397	6.214	6	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Mn)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Mn)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Mn<6>,1|C<3>}	107.7425	0.436	2	107.7425	0.190	2	104.5397	6.214	6	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[6a]C[5,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.2400	0.000	1	106.2400	0.000	1	106.2400	0.000	1	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	106.3790	0.270	2	106.3470	0.162	8	105.6013	0.719	36	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	106.3808	0.499	5	106.3470	0.162	8	105.6013	0.719	36	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<3>}	106.1140	0.000	1	106.3470	0.162	8	105.6013	0.719	36	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.5435	0.244	2	105.5435	0.060	2	105.6013	0.719	36	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.4857	0.023	6	105.7067	1.158	9	105.6013	0.719	36	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.1487	2.048	3	105.7067	1.158	9	105.6013	0.719	36	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]2)(N[5a]C[5a]){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<3>}	103.1470	0.000	1	103.1470	0.000	1	105.6013	0.719	36	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	104.9475	0.230	2	105.4697	0.528	6	105.6013	0.719	36	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.7308	0.768	4	105.4697	0.528	6	105.6013	0.719	36	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.2170	0.013	4	105.2458	0.013	10	105.6013	0.719	36	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.2650	0.148	6	105.2458	0.013	10	105.6013	0.719	36	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:I-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(I)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|I<1>}	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(I){1|C<3>,1|H<1>}	104.9940	1.327	2	104.9940	1.760	2	104.9940	1.760	2	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:Br-1:	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Br)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Br)	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Br){4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Br){1|H<1>,3|C<3>}	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(H){4|C<3>}	106.9860	0.000	1	106.9860	0.000	1	106.8680	0.125	3	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	106.8090	0.478	2	106.8090	0.228	2	106.8680	0.125	3	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Co)(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]Co)(C[5a]N[5a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Co<6>,1|C<3>}	107.8245	0.859	2	107.8245	0.738	2	107.0918	0.738	10	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cr)(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|Cr<6>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]Cr)(C[5a]N[5a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Cr<6>,1|C<3>}	106.5097	0.685	3	106.5097	0.469	3	107.0918	0.738	10	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ir)(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]Ir)(C[5a]N[5a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Ir<6>,1|C<3>}	106.2475	0.008	2	106.2475	0.000	2	107.0918	0.738	10	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Mn)(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]Mn)(C[5a]N[5a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Mn<6>,1|C<3>}	107.7483	0.277	3	107.7483	0.077	3	107.0918	0.738	10	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|C<3>}	105.2725	0.603	2	105.2725	0.364	2	105.4614	3.745	5	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Cu)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|Cu<5>,3|C<3>}	C[5a](N[5a]C[5a]Cu)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|Cu<5>,1|C<3>}	103.8540	0.000	1	103.8540	0.000	1	105.4614	3.745	5	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Ru)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|Ru<6>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]Ru)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Ru<6>,1|C<3>}	106.4540	3.161	2	106.4540	9.990	2	105.4614	3.745	5	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	103.7830	0.000	1	103.7830	0.000	1	103.7830	0.000	1	105.3584	1.238	207	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]O[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2){5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]O[5a])(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	105.3570	0.000	1	105.3570	0.000	1	105.2555	0.021	2	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2)	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]2){1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	105.1540	0.000	1	105.1540	0.000	1	105.2555	0.021	2	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]S[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2){5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]S[5a])(N[5a]C[5a]){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	110.9683	0.201	3	110.9683	0.040	3	111.1686	0.148	7	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]S[5a]O)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2){1|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]S[5a]O)(N[5a]C[5a]){1|S<2>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	111.6350	0.000	1	111.6350	0.000	1	111.1686	0.148	7	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]2){1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){1|N<2>,1|S<2>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	111.2133	0.482	3	111.2133	0.233	3	111.1686	0.148	7	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]){1|C<4>,1|N<2>,2|N<3>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.7610	0.000	1	108.7610	0.000	1	108.8990	0.038	2	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]N[5])(C[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a]C[5a]O[5a])(C[5a]S[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	109.0370	0.000	1	109.0370	0.000	1	108.8990	0.038	2	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	104.8360	0.000	1	104.9717	0.066	3	105.3026	0.233	16	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|O<2>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	105.0395	0.323	2	104.9717	0.066	3	105.3026	0.233	16	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	104.9965	0.151	2	105.3193	0.219	12	105.3026	0.233	16	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	105.0460	0.000	1	105.3193	0.219	12	105.3026	0.233	16	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){5|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	105.4213	0.501	9	105.3193	0.219	12	105.3026	0.233	16	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a]){1|C<4>,4|C<3>}	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.0950	0.000	1	106.0950	0.000	1	105.3026	0.233	16	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){3|C<3>,3|H<1>}	111.2730	0.000	1	111.7640	0.216	3	111.9110	0.231	4	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){3|C<3>,3|H<1>}	112.0095	0.267	2	111.7640	0.216	3	111.9110	0.231	4	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a]){1|N<3>,4|C<3>}	C[5a](C[5a]S[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	112.3520	0.000	1	112.3520	0.000	1	111.9110	0.231	4	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	109.4458	0.075	4	109.3214	0.106	14	109.3214	0.106	14	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	109.2716	0.377	10	109.3214	0.106	14	109.3214	0.106	14	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|C<3>}	105.0480	0.000	1	105.0480	0.000	1	105.0480	0.000	1	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SC){2|C<3>}	105.4300	0.000	1	105.4300	0.000	1	105.2090	0.116	3	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SC){2|C<3>}	105.0985	0.400	2	105.0985	0.160	2	105.2090	0.116	3	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){5|C<3>}	C[5a](C[5a]S[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,4|C<3>}	109.6220	0.000	1	109.6220	0.000	1	109.6433	0.102	3	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	109.3350	0.000	1	109.3350	0.000	1	109.6433	0.102	3	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	109.9730	0.000	1	109.9730	0.000	1	109.6433	0.102	3	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	102.4910	0.000	1	102.4910	0.000	1	102.4910	0.000	1	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]O[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]N[5a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]O[5a]){1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]N[5a])(N[5a]C[5a]){1|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	103.8080	0.000	1	103.8080	0.000	1	103.8080	0.000	1	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|C<3>,1|N<3>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<6>,1|N<3>,2|C<3>}	101.5490	0.000	1	101.5490	0.000	1	101.5490	0.000	1	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]N[5a]C[6])2	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])2{1|H<1>,2|C<3>,2|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	102.7050	0.000	1	102.7050	0.000	1	102.7050	0.000	1	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Co<6>,1|N<3>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Co)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Co<6>,2|H<1>,3|C<3>}	101.0750	0.000	1	101.0750	0.000	1	101.1055	0.002	2	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|Cu<5>,1|N<3>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Cu<5>,2|H<1>,3|C<3>}	101.1360	0.000	1	101.1360	0.000	1	101.1055	0.002	2	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|C<2>,3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<3>,1|H<1>}	104.8200	0.000	1	104.8200	0.000	1	105.0888	0.034	4	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|C<2>,3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<3>,1|H<1>}	105.1783	0.050	3	105.1783	0.002	3	105.0888	0.034	4	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|C<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[6a]){1|C<3>,1|C<4>}	106.0630	0.000	1	106.0630	0.000	1	106.2110	0.044	2	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[6a]){1|C<3>,1|H<1>}	106.3590	0.000	1	106.3590	0.000	1	106.2110	0.044	2	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(SC)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(SC){1|H<1>,3|C<3>}	105.0450	0.000	1	105.0450	0.000	1	105.0450	0.000	1	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	104.2490	0.000	1	104.2490	0.000	1	103.5106	0.217	10	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	103.5270	0.273	4	103.6405	0.082	6	103.5106	0.217	10	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,3|H<1>}	103.7430	0.000	1	103.6405	0.082	6	103.5106	0.217	10	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	103.9920	0.000	1	103.6405	0.082	6	103.5106	0.217	10	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,1|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	102.7170	0.000	1	102.7170	0.000	1	103.5106	0.217	10	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	103.0850	0.000	1	103.1485	0.008	2	103.5106	0.217	10	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2{1|H<1>,2|C<3>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	103.2120	0.000	1	103.1485	0.008	2	103.5106	0.217	10	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-2:	N[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC)	N[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]C){1|S<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){1|C<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC){1|H<1>,3|C<3>}	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-2:	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC)	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC){1|H<1>,3|C<3>}	106.5990	0.000	1	106.5990	0.000	1	106.5990	0.000	1	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]S)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(SC[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]S){1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(SC[5a]){1|H<1>,3|C<3>}	106.7375	0.308	2	106.7375	0.095	2	106.7375	0.095	2	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	104.2134	0.430	10	104.0488	0.270	13	103.9864	0.304	14	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2{5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	103.5000	0.449	3	104.0488	0.270	13	103.9864	0.304	14	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2	C[5a](N[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2{1|C<4>,4|C<3>}	C[5a](N[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	103.1750	0.000	1	103.1750	0.000	1	103.9864	0.304	14	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5])	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N[5]){1|C<4>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a]){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	102.5000	0.000	1	102.5000	0.000	1	102.5000	0.000	1	106.2835	8.492	94	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	106.4050	0.000	1	106.4050	0.000	1	106.4050	0.000	1	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a])(NIrC)	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N){1|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a])(NIrC){3|C<3>}	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N){1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH){3|C<3>}	106.0830	0.000	1	106.0830	0.000	1	106.8752	1.020	5	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NIrC)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N){1|N<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NIrC){3|C<3>}	107.0733	1.048	4	107.0733	1.098	4	106.8752	1.020	5	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:B-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[5a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B){4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|B<3>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[5a]N){4|C<3>}	107.1520	0.330	2	107.1520	0.109	2	107.1520	0.109	2	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){2|C<3>}	105.6077	0.103	4	105.6077	0.011	4	105.6077	0.011	4	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){1|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	106.1900	0.834	2	106.1900	0.696	2	106.1900	0.696	2	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NHH){2|C<3>}	105.6065	0.114	2	105.6065	0.013	2	105.6065	0.013	2	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SCO)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SCO){2|C<3>}	104.9660	0.000	1	104.9660	0.000	1	104.9660	0.000	1	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	103.7380	0.000	1	103.7380	0.000	1	103.4875	0.126	2	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|H<1>}	103.2370	0.000	1	103.2370	0.000	1	103.4875	0.126	2	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	105.4410	0.000	1	105.2045	0.112	2	105.2045	0.112	2	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	104.9680	0.000	1	105.2045	0.112	2	105.2045	0.112	2	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])	C[5a](C[6]C[6,6]C[6])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6]){3|C<2>,3|C<3>}	C[5a](C[6]C[6,6]C[6])(N[5a]C[5a]C)(N[5a]C[5a]){1|P<3>,2|C<2>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){1|C<3>,5|C<2>}	106.3960	0.000	1	106.3960	0.000	1	106.3960	0.000	1	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){2|C<4>,4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	106.4350	0.000	1	106.4350	0.000	1	106.4350	0.000	1	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH){1|C<3>,1|C<4>}	106.0150	0.000	1	106.0150	0.000	1	105.9110	0.198	7	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){2|C<3>}	106.4250	0.000	1	106.4250	0.000	1	105.9110	0.198	7	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	105.8530	0.000	1	105.8530	0.000	1	105.9110	0.198	7	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	105.4555	0.654	2	105.4555	0.428	2	105.9110	0.198	7	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){1|C<3>,1|C<4>}	106.0865	0.067	2	106.0865	0.005	2	105.9110	0.198	7	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS){4|C<3>}	106.0190	0.000	1	106.0190	0.000	1	105.5065	0.525	2	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS){1|H<1>,3|C<3>}	104.9940	0.000	1	104.9940	0.000	1	105.5065	0.525	2	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	107.2365	0.200	2	107.2365	0.040	2	107.4240	0.125	3	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	107.7990	0.000	1	107.7990	0.000	1	107.4240	0.125	3	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){2|C<3>}	105.9290	0.000	1	106.0465	0.028	2	106.0465	0.028	2	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){2|C<3>}	106.1640	0.000	1	106.0465	0.028	2	106.0465	0.028	2	106.0534	1.016	38	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CC)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CC){1|C<3>,1|H<1>}	103.6270	0.000	1	103.6270	0.000	1	103.6270	0.000	1	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|C<3>,1|C<4>}	105.4100	0.304	3	105.4100	0.092	3	105.7957	0.270	10	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	106.5480	0.132	2	106.5480	0.017	2	105.7957	0.270	10	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.0880	0.000	1	105.5720	0.533	2	105.7957	0.270	10	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	105.0560	0.000	1	105.5720	0.533	2	105.7957	0.270	10	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	105.8290	0.080	3	105.8290	0.006	3	105.7957	0.270	10	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|P<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	106.0740	0.000	1	106.0740	0.000	1	106.4735	2.694	6	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CF3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CF3){1|C<3>,1|H<1>}	105.6630	0.000	1	105.5640	0.037	3	106.4735	2.694	6	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CF3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CF3){1|C<3>,1|H<1>}	105.5145	0.243	2	105.5640	0.037	3	106.4735	2.694	6	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	106.3250	0.000	1	106.3250	0.000	1	106.4735	2.694	6	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|O<1>}	109.7500	0.000	1	109.7500	0.000	1	106.4735	2.694	6	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2O)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P){2|C<3>,2|C<4>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2O){1|C<3>,1|C<4>}	105.6370	0.000	1	105.6370	0.000	1	105.6370	0.000	1	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	106.9010	0.000	1	106.9010	0.000	1	107.1525	0.127	2	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HO)	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HO){1|H<1>,3|C<3>}	107.4040	0.000	1	107.4040	0.000	1	107.1525	0.127	2	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|H<1>,2|C<4>,4|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){2|C<3>}	105.8865	0.105	2	106.1714	0.094	10	106.1442	0.093	11	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){2|C<3>}	106.2426	0.300	8	106.1714	0.094	10	106.1442	0.093	11	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HS)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HS){2|C<3>}	105.8720	0.000	1	105.8720	0.000	1	106.1442	0.093	11	106.0630	0.908	31	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	N[5,5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a]){1|C<4>,5|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,8|C<3>}	106.6110	0.000	1	106.6110	0.000	1	107.1510	0.583	2	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	N[5,5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a]){1|C<4>,5|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,7|C<3>}	107.6910	0.000	1	107.6910	0.000	1	107.1510	0.583	2	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C[5]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.0630	0.485	2	104.0630	0.235	2	104.0630	0.235	2	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,5a]-3:C-3:N[5a]-2:	C[5a,5a]-3:C-3:N[5a]-2:	N[5a](C[5a]C[5a,5a]C)2	C[5a](C[5a,5a]C[5a,5a]N[5a])(CC[6a]C[5])(N[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]N[5a])(CC[6a]C[5])(N[5a]C[5a])	N[5a](C[5a]C[5a,5a]C)2{2|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(CC[6a]C[5])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(CC[6a]C[5])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(N[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2){1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(N[5a]C[5a]){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	105.4400	0.000	1	105.4400	0.000	1	105.3725	0.009	2	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.3050	0.000	1	105.3050	0.000	1	105.3725	0.009	2	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ir)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]2){1|Ir<6>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ir)(N[5a]C[5a]){1|H<1>,4|C<3>}	103.7380	0.000	1	103.7380	0.000	1	103.7380	0.000	1	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){6|C<3>}	105.4245	0.279	2	105.4245	0.078	2	106.1726	0.528	5	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|O<2>,5|C<3>}	106.5165	0.156	2	106.5165	0.024	2	106.1726	0.528	5	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	106.9810	0.000	1	106.9810	0.000	1	106.1726	0.528	5	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){6|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	107.4600	0.359	2	107.4600	0.129	2	107.4600	0.129	2	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	105.2940	0.000	1	105.2940	0.000	1	105.2940	0.000	1	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|C<4>,1|S<2>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	106.3845	0.169	2	106.3845	0.029	2	106.3845	0.029	2	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){6|C<3>}	105.6732	0.445	8	105.6732	0.198	8	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,5|C<3>}	105.9360	0.000	1	106.1050	0.057	2	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|P<3>,5|C<3>}	106.2740	0.000	1	106.1050	0.057	2	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	105.7910	0.387	3	106.0953	0.235	30	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	105.4200	0.000	1	106.0953	0.235	30	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|Cl<1>,4|C<3>}	105.7520	0.188	2	106.0953	0.235	30	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.1900	0.480	24	106.0953	0.235	30	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,5|C<3>}	105.6865	0.028	2	106.0020	0.694	23	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<4>,4|C<3>}	106.4895	0.255	2	106.0020	0.694	23	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.0037	0.920	18	106.0020	0.694	23	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|O<2>,4|C<3>}	105.6290	0.000	1	106.0020	0.694	23	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	106.6320	0.000	1	106.6320	0.000	1	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.8590	0.576	2	105.8590	0.331	2	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){2|C<4>,4|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.9350	0.000	1	105.9350	0.000	1	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	105.7832	0.244	5	105.7832	0.060	5	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.5370	0.000	1	106.5370	0.000	1	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.3470	0.000	1	106.3470	0.000	1	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,4|C<3>}	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	106.2520	0.000	1	106.2520	0.000	1	106.0112	0.357	75	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,6|C<3>}	105.7140	0.081	2	106.1868	0.202	9	106.2562	0.128	26	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|H<1>,6|C<3>}	106.1750	0.895	2	106.1868	0.202	9	106.2562	0.128	26	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,2|N<2>,5|C<3>}	106.1110	0.000	1	106.1868	0.202	9	106.2562	0.128	26	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,2|N<2>,5|C<3>}	106.4480	0.167	4	106.1868	0.202	9	106.2562	0.128	26	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a]){8|C<3>}	105.7255	0.084	2	105.7255	0.007	2	106.2562	0.128	26	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,7|C<3>}	106.5455	0.219	4	106.3686	0.056	15	106.2562	0.128	26	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	106.3043	0.217	11	106.3686	0.056	15	106.2562	0.128	26	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	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[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.3245	0.245	2	105.3245	0.060	2	105.3245	0.060	2	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a])	C[5a](N[5a]C[5a]Ir)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|Ir<6>,1|N<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[5a](N[5a]C[5a]Ir)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.1950	0.000	1	105.1950	0.000	1	105.1950	0.000	1	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.7770	0.000	1	106.7770	0.000	1	106.3875	0.326	20	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.8670	0.000	1	106.8670	0.000	1	106.3875	0.326	20	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.8620	0.287	3	106.3354	0.360	17	106.3875	0.326	20	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.7210	0.000	1	106.3354	0.360	17	106.3875	0.326	20	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	106.4918	0.594	13	106.3354	0.360	17	106.3875	0.326	20	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.4050	0.000	1	106.4050	0.000	1	106.3875	0.326	20	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5,5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5,5a]N[5,5a]S[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a]){1|S<2>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5,5a]N[5,5a]S[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a,6]N[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a]){1|S<2>,5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.9840	0.000	1	106.9840	0.000	1	106.9840	0.000	1	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|N<2>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	106.3167	0.185	6	106.3517	0.026	11	106.8539	0.489	28	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,5|C<3>}	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	106.3938	0.138	5	106.3517	0.026	11	106.8539	0.489	28	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	107.4262	0.639	13	107.4262	0.409	13	106.8539	0.489	28	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){6|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.3752	0.179	4	106.3752	0.032	4	106.8539	0.489	28	106.2401	0.594	172	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:4:2:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C-4:N[5a]-2:	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	107.3520	0.348	2	107.3520	0.121	2	107.3520	0.121	2	107.3643	0.061	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:4:2:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[5])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5,6a]2O)(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[5]){1|O<2>,6|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5,6a]2O)(N[5a]C[5a]){1|H<1>,7|C<3>}	107.3890	0.000	1	107.3890	0.000	1	107.3890	0.000	1	107.3643	0.061	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	4:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6]-4:N[5a]-2:S[5a]-2:	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]2){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]S[5a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	111.0175	0.043	2	111.0175	0.002	2	111.0175	0.002	2	108.1545	11.083	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	4:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[3]-4:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3])	C[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[3]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	105.7710	0.000	1	105.7710	0.000	1	105.7710	0.000	1	108.1545	11.083	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:3:2:	4:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6]-4:N[5a]-2:O[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[6])	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[6]){1|H<1>,2|C<3>,3|C<4>}	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,3|C<4>,4|H<1>}	104.8120	0.000	1	104.8120	0.000	1	104.8120	0.000	1	108.1545	11.083	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:4:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-2:S[5a]-2:N-2:	N[5a](C[5a]C[5a]C[5])(C[5a]S[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC)	N[5a](C[5a]C[5a]C[5])(C[5a]S[5a]N){1|Fe<10>,1|N<3>,2|C<4>}	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC){1|C<4>,1|N<3>}	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:4:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[4]-4:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[4])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[4]C[4]2H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[4])(C[5a]S[5a]N){2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]H)(C[4]C[4]2H)(N[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<4>,1|H<1>}	110.7815	0.016	2	110.7815	0.000	2	110.3896	0.388	5	110.4799	0.304	8	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:4:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[4]-4:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[4])(C[5a]S[5a]N)	C[5a](C[5a]S[5a]H)(C[4]C[4]2H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHN)	N[5a](C[5a]C[5a]C[4])(C[5a]S[5a]N){2|C<4>,2|H<1>}	C[5a](C[5a]S[5a]H)(C[4]C[4]2H)(N[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHN){1|C<4>,1|H<1>}	110.1283	0.721	3	110.1283	0.520	3	110.3896	0.388	5	110.4799	0.304	8	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:4:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[5])(C[5a]S[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]C[5])(C[5a]S[5a]N){1|Fe<10>,1|N<3>,2|C<4>}	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<4>,1|N<3>}	110.4860	0.583	2	110.4860	0.339	2	110.6303	0.232	3	110.4799	0.304	8	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:4:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]C[5a]C[5])(C[5a]S[5a]N)	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[5])(C[5a]S[5a]N){1|Fe<10>,1|N<3>,2|C<4>}	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NHH){1|C<4>,1|N<3>}	110.9190	0.000	1	110.9190	0.000	1	110.6303	0.232	3	110.4799	0.304	8	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.5360	0.000	1	105.5360	0.000	1	104.8187	0.394	3	104.8187	0.394	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]H)(C[6]N[6]2H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	C[5a](N[5a]C[5a]H)(C[6]N[6]2H)(N[5a]C[5a]){2|N<3>,4|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.4600	0.124	2	104.4600	0.015	2	104.8187	0.394	3	104.8187	0.394	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5,6]-4:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5,6]S[5a])(C[5a]C[5a]H)	C[5a](C[5,6]C[3,5,6]C[5,6,6]H)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5,6]S[5a])(C[5a]C[5a]H){2|C<4>,2|H<1>}	C[5a](C[5,6]C[3,5,6]C[5,6,6]H)(N[5a]C[5a])(S[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<4>}	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	109.2187	5.176	6	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]N[5]2H)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	C[5a](C[5]N[5]2H)(N[5a]C[5a])(S[5a]C[5a]){2|C<4>,2|H<1>,2|O<2>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<4>}	109.6880	0.000	1	109.6880	0.000	1	109.9700	0.159	2	109.2187	5.176	6	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,3|C<4>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<4>}	110.2520	0.000	1	110.2520	0.000	1	109.9700	0.159	2	109.2187	5.176	6	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]O[6]H)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|H<1>}	C[5a](C[6]C[6]O[6]H)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<4>}	C[5a](C[5a]O[5a]H)(N[5a]C[5a])(H){1|C<4>}	104.6060	0.000	1	104.6060	0.000	1	104.6060	0.000	1	109.2187	5.176	6	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]O[6]O)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|O<2>}	C[5a](C[6]C[6]O[6]O)(N[5a]C[5a])(S[5a]C[5a]){3|C<4>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(H){1|C<4>}	110.1340	0.051	2	110.1340	0.003	2	110.1340	0.003	2	109.2187	5.176	6	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5,5]-4:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5,5]O[5a])(C[5a]C[6a]N[5a])	C[5a](C[5,5]N[5,5]C[5]O[5])(N[5a]C[5a])(O[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5,5]O[5a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5,5]N[5,5]C[5]O[5])(N[5a]C[5a])(O[5a]N[5a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	101.9960	0.000	1	101.9960	0.000	1	101.9960	0.000	1	103.4960	1.490	5	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-2:	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]C)	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CN)	N[5a](C[5a]O[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<4>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CN){1|C<4>}	104.8030	0.000	1	104.8030	0.000	1	104.8030	0.000	1	103.4960	1.490	5	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C[6])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]C[6]){1|H<1>,1|N<2>,1|S<2>,2|C<4>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>}	102.4660	0.000	1	102.4660	0.000	1	102.4660	0.000	1	103.4960	1.490	5	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	104.1075	0.441	2	104.1075	0.194	2	104.1075	0.194	2	103.4960	1.490	5	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5]-4:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO)	N[5a](C[5a]S[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a])(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CNO){1|C<4>}	110.8920	0.456	3	110.8920	0.208	3	110.8920	0.208	3	110.8920	0.208	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]C)	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3)	N[5a](C[5a]S[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>}	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(CC3){1|C<4>}	111.5807	0.944	4	111.5807	0.891	4	111.5807	0.891	4	111.5807	0.891	4	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[6])	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]C[6]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	105.5310	0.000	1	105.5310	0.000	1	105.5310	0.000	1	109.3710	11.059	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C[6])	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a])	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a]S[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	111.2910	0.016	2	111.2910	0.000	2	111.2910	0.000	2	109.3710	11.059	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	B[5,5]-4:C[5a]-3:N[5a]-2:	N[5a]-2:S[5a]-2:N-3:	N[5a](C[5a]B[5,5]C[5a])(C[5a]S[5a]N)	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC)	N[5a](C[5a]B[5,5]C[5a])(C[5a]S[5a]N){1|H<1>,1|N<4>,2|O<2>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,3|C<4>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC){1|B<4>,1|H<1>}	110.0250	0.031	2	110.0250	0.001	2	110.0250	0.001	2	108.2537	9.413	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-2:O[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6])(C[5a]O[5a]C)	C[5a](C[6]C[6]O[6]H)(C[5a]O[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]C[6])(C[5a]O[5a]C){1|C<4>,1|O<2>,2|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]O[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCC){1|C<4>,1|H<1>}	104.7110	0.000	1	104.7110	0.000	1	104.7110	0.000	1	108.2537	9.413	3	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a]O)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	104.8515	0.267	2	104.8515	0.071	2	105.1843	0.368	3	105.2781	0.244	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>}	C[5a](CC[6a]2C[5])(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	105.8500	0.000	1	105.8500	0.000	1	105.1843	0.368	3	105.2781	0.244	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){2|H<1>,3|C<4>}	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.0260	0.000	1	105.0260	0.000	1	105.5255	0.155	4	105.2781	0.244	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){1|S<4>,2|C<4>,2|H<1>}	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.9650	0.000	1	105.9650	0.000	1	105.5255	0.155	4	105.2781	0.244	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H){1|S<4>,2|C<4>,2|H<1>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.5555	0.148	2	105.5555	0.022	2	105.5255	0.155	4	105.2781	0.244	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H){1|N<3>,1|O<2>,3|H<1>}	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.9805	0.229	4	104.9805	0.052	4	104.9805	0.052	4	105.2781	0.244	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H)	C[5a](C[6]C[5a,6]C[5,6]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5a](C[6]C[5a,6]C[5,6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.7730	0.000	1	105.7730	0.000	1	105.3988	0.458	4	105.2781	0.244	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.6640	0.000	1	105.2740	0.593	3	105.3988	0.458	4	105.2781	0.244	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.0790	0.979	2	105.2740	0.593	3	105.3988	0.458	4	105.2781	0.244	15	105.6744	8.936	3246	105.5190	7.825	6730
519	727	727	5:SP2_SP2_SP2	N[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5]-4:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<4>}	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a]){7|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){2|C<4>}	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	105.6744	8.936	3246	105.5190	7.825	6730