643	371	861	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:Se-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]OO)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	115.3040	0.000	1	115.3040	0.000	1	115.3040	0.000	1	115.3040	0.000	1	114.5093	5.023	3	114.5093	5.023	3
643	371	861	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:4:2:	3:3:	3:3:1:1:	C[6a]-3:Se-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:Br-1:	C[6a](C[6a]C[6a]H)(SeC[6a]Br2)(N[6a]C[6a])	N[6a](C[6a]C[6a]Se)2	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]H)(SeC[6a]Br2)(N[6a]C[6a]){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Br)2	111.9790	0.000	1	111.9790	0.000	1	111.9790	0.000	1	114.1120	9.099	2	114.5093	5.023	3	114.5093	5.023	3
643	371	861	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:4:2:	3:3:	3:3:1:1:	C[6a]-3:Se-4:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a](C[6a]C[6a]H)(SeC[6a]Cl2)(N[6a]C[6a])	N[6a](C[6a]C[6a]Se)2	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)(SeC[6a]Cl2)(N[6a]C[6a]){1|Se<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Cl)2	116.2450	0.000	1	116.2450	0.000	1	116.2450	0.000	1	114.1120	9.099	2	114.5093	5.023	3	114.5093	5.023	3
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:1:	2:3:	3:	N[6a]-2:N[6a]-2:O-1:	N[6a]-2:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	O(C[6a]N[6a]2)	114.3035	0.138	4	114.3035	0.019	4	114.3035	0.019	4	114.3035	0.019	4	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:O-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(O)	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(O){1|N<3>,2|N<2>}	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O){3|C<3>}	O(C[6a]N[6a]2)	118.6803	0.443	3	118.6803	0.197	3	118.6803	0.197	3	120.4798	6.678	14	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(O)	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(O){1|N<3>,2|N<2>}	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O){3|C<3>}	O(C[6a]N[6a]2)	118.8653	0.548	3	118.8653	0.300	3	118.8653	0.300	3	120.4798	6.678	14	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(O)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(O){1|N<3>,2|C<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O){1|Eu<11>,1|N<3>,2|C<3>}	O(C[6a]N[6a]2)	120.3520	0.000	1	120.3520	0.000	1	119.8733	0.405	3	120.4798	6.678	14	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(O)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(O){3|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O){1|N<3>,1|V<5>,2|C<3>}	O(C[6a]N[6a]2)	119.6340	0.683	2	119.6340	0.467	2	119.8733	0.405	3	120.4798	6.678	14	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:O-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|H<1>,3|N<2>}	O(C[6a]N[6a]2)	121.8200	0.000	1	121.5387	0.220	4	121.5387	0.220	4	120.4798	6.678	14	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:O-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|N<3>,3|N<2>}	O(C[6a]N[6a]2)	122.0300	0.000	1	121.5387	0.220	4	121.5387	0.220	4	120.4798	6.678	14	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:O-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){2|N<2>,2|N<3>}	O(C[6a]N[6a]2)	121.1525	0.202	2	121.5387	0.220	4	121.5387	0.220	4	120.4798	6.678	14	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:1:	3:3:	3:	N[6a]-2:O[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])(O[6a]C[6a])(O)	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]O)	O(C[6a]N[6a]O[6a])	C[6a](N[6a]C[6a])(O[6a]C[6a])(O){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]O){1|C<3>,2|C<4>}	O(C[6a]N[6a]O[6a])	128.3050	0.000	1	128.3050	0.000	1	128.3050	0.000	1	120.4798	6.678	14	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(O)	N[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<2>}	N[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]O){1|C<3>,3|C<4>}	O(C[6a]C[6a]N[6a])	118.9830	0.000	1	118.9830	0.000	1	119.4367	0.156	3	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(O)	N[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<2>}	N[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]C[6a]N[6a])	119.6635	0.063	2	119.6635	0.004	2	119.4367	0.156	3	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(O)	N[6a](C[6,6a]N[6,6a]O[6])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<2>}	N[6a](C[6,6a]N[6,6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>}	O(C[6a]C[6a]N[6a])	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]N[6a]2)	121.8855	0.407	2	121.8855	0.165	2	121.8855	0.165	2	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.4010	0.631	2	122.6627	0.404	3	123.0268	0.459	5	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|N<3>,2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	123.1860	0.000	1	122.6627	0.404	3	123.0268	0.459	5	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(O){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	123.5730	0.178	2	123.5730	0.032	2	123.0268	0.459	5	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){5|C<3>}	O(C[6a]N[6a]2)	122.8820	0.332	2	122.8820	0.110	2	122.4049	8.908	15	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.4990	0.463	6	121.4990	0.215	6	122.4049	8.908	15	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]N[6a]2)	121.1700	0.303	2	121.4005	0.340	6	122.4049	8.908	15	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	121.4493	0.836	3	121.4005	0.340	6	122.4049	8.908	15	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]N[6a]2)	121.7150	0.000	1	121.4005	0.340	6	122.4049	8.908	15	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:1:	3:3:	3:	N[6a]-2:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a]H)(O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]N[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]N[6a]2)	132.9120	0.000	1	132.9120	0.000	1	122.4049	8.908	15	122.0393	6.384	26	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:2:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]N[6a]H)(N[6a]N[6a])(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	O(C[6a]N[6a]2)	C[6a](N[6a]N[6a]H)(N[6a]N[6a])(O){1|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]N[6a]2)	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	O(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])	120.5370	0.000	1	120.5370	0.000	1	120.5370	0.000	1	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(O)	N[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]O){6|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O){5|C<3>}	O(C[6a]C[6a,6a]N[6a])	121.8110	0.585	2	121.8110	0.343	2	121.8110	0.343	2	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|C<4>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.2330	0.000	1	120.0235	0.088	2	120.8484	0.550	7	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){5|C<3>}	O(C[6a]C[6a,6a]N[6a])	119.8140	0.000	1	120.0235	0.088	2	120.8484	0.550	7	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O){4|C<3>}	O(C[6a]C[6a,6a]N[6a])	120.9608	0.347	4	120.9608	0.120	4	120.8484	0.550	7	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(O){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]C[6a,6a]N[6a])	122.0490	0.000	1	122.0490	0.000	1	120.8484	0.550	7	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:O-1:	N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(O)	N[6a](N[5,6a]C[5,6a]C[3,5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[5,6a])(O){1|C<4>,1|H<1>,3|C<3>}	N[6a](N[5,6a]C[5,6a]C[3,5])(C[6a]C[6a,6a]O){1|O<2>,2|C<3>,3|C<4>}	O(C[6a]C[6a,6a]N[6a])	118.9200	0.000	1	118.9200	0.000	1	118.9200	0.000	1	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(O)	N[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(O){1|N<3>,1|S<2>,2|C<3>}	N[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]O){1|C<3>,1|N<2>,2|C<4>}	O(C[6a]C[6a]N[6a])	121.0975	0.459	2	121.0975	0.211	2	121.0975	0.211	2	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(O)	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(O){1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	120.3490	0.000	1	120.3490	0.000	1	120.3490	0.000	1	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(O){1|C<4>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.8055	0.021	2	119.8055	0.000	2	119.5012	2.432	30	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O){1|N<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])	116.6570	0.000	1	116.6570	0.000	1	119.5012	2.432	30	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O){1|C<4>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.1905	0.693	4	118.4006	0.580	5	119.5012	2.432	30	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(O){1|H<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])	119.2410	0.000	1	118.4006	0.580	5	119.5012	2.432	30	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])	119.8920	0.139	2	119.8920	0.019	2	119.5012	2.432	30	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|C<4>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.0121	0.595	11	119.0406	0.332	12	119.5012	2.432	30	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|H<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])	119.3540	0.000	1	119.0406	0.332	12	119.5012	2.432	30	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])	119.8520	0.000	1	119.8520	0.000	1	119.5012	2.432	30	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]S[6a]N)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]S[6a]N){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])	118.6210	0.000	1	118.6210	0.000	1	119.5012	2.432	30	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]S[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]S[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>}	O(C[6a]C[6a]N[6a])	119.2345	0.514	2	119.2345	0.264	2	119.5012	2.432	30	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(O){2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|Br<1>,1|C<4>,1|N<2>}	O(C[6a]C[6a]N[6a])	122.9243	0.273	3	122.9243	0.074	3	119.5012	2.432	30	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(O){2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|N<2>,2|C<4>}	O(C[6a]C[6a]N[6a])	122.7790	0.000	1	122.7790	0.000	1	119.5012	2.432	30	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[5,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N)	O(C[6a]N[5,6a]N[6a])	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N){2|C<3>}	O(C[6a]N[5,6a]N[6a])	123.9510	0.000	1	123.9510	0.000	1	124.4745	0.548	2	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[5,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]N[6])(C[6a]N[5,6a]O)	O(C[6a]N[5,6a]N[6a])	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[5,6a]O){2|C<3>,2|C<4>}	O(C[6a]N[5,6a]N[6a])	124.9980	0.000	1	124.9980	0.000	1	124.4745	0.548	2	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(O){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O){1|H<1>,4|C<3>}	O(C[6a]N[5a,6a]N[6a])	124.5430	0.000	1	124.5430	0.000	1	124.5430	0.000	1	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]N)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	O(C[6a]N[5a,6a]N[6a])	125.7225	0.255	2	125.3398	0.227	4	125.3398	0.227	4	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]N)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O){1|C<3>,1|I<1>,1|N<2>,2|N<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	O(C[6a]N[5a,6a]N[6a])	124.9570	0.171	2	125.3398	0.227	4	125.3398	0.227	4	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[5a,6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(O){1|C<3>,1|O<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a]O){1|C<3>,1|N<2>}	O(C[6a]N[5a,6a]N[6a])	123.5800	0.000	1	123.5800	0.000	1	123.5800	0.000	1	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a])(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]N)	O(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6,6a]N[6a])	121.3290	0.000	1	121.3290	0.000	1	121.9865	0.865	2	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6,6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)	O(C[6a]N[6,6a]N[6a])	C[6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O){1|C<3>,2|C<4>}	O(C[6a]N[6,6a]N[6a])	122.6440	0.000	1	122.6440	0.000	1	121.9865	0.865	2	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[5a,6a])(O)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[5a,6a])(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	O(C[6a]N[6a]2)	121.8950	0.410	2	121.8950	0.168	2	121.8950	0.168	2	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a,6a])(O){1|N<3>,2|N<2>}	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	123.1113	0.596	3	123.1113	0.355	3	123.3726	0.339	5	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(O){1|N<3>,2|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	123.5070	0.000	1	123.5070	0.000	1	123.3726	0.339	5	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	O(C[6a]N[6a]2)	124.0220	0.000	1	124.0220	0.000	1	123.3726	0.339	5	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.8490	0.000	1	121.8490	0.000	1	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a])(O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]N[6a]2)	120.4050	0.000	1	120.4050	0.000	1	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)	121.5140	0.000	1	120.5665	1.796	2	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	119.6190	0.000	1	120.5665	1.796	2	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]C[6a])(N[6a]C[6a])(O){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|C<4>}	O(C[6a]N[6a]2)	121.6750	0.000	1	121.6750	0.000	1	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]N[6a]2)	120.0872	0.328	4	120.0872	0.108	4	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a])(O){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]N[6a]2)	122.5620	0.000	1	122.5620	0.000	1	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)	121.3145	0.141	2	121.3145	0.020	2	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|C<2>,4|C<3>}	O(C[6a]N[6a]2)	123.4240	0.000	1	123.4240	0.000	1	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	122.6105	0.317	4	122.6105	0.100	4	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a]O)2{3|C<3>}	O(C[6a]N[6a]2)	124.6550	0.233	2	124.6550	0.054	2	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,4|C<3>}	O(C[6a]N[6a]2)	122.9850	0.000	1	122.9850	0.000	1	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	123.2690	0.000	1	122.6835	0.686	2	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.0980	0.000	1	122.6835	0.686	2	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.7800	0.000	1	122.7800	0.000	1	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.1930	0.000	1	121.9775	0.435	31	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>}	O(C[6a]N[6a]2)	122.0763	0.141	3	121.9775	0.435	31	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.0292	0.614	26	121.9775	0.435	31	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]N[6a]2)	120.1220	0.000	1	121.9775	0.435	31	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.8210	0.055	2	122.8210	0.003	2	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|O<1>,2|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.8543	0.380	3	122.8543	0.144	3	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	123.6060	0.364	4	123.6060	0.132	4	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	123.0340	0.000	1	122.2716	0.469	41	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	122.4878	0.563	6	122.2716	0.469	41	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>}	O(C[6a]N[6a]2)	121.5418	0.819	4	122.2716	0.469	41	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.3704	0.646	23	122.2716	0.469	41	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)	122.5335	1.221	2	122.2716	0.469	41	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.3730	0.000	1	122.2716	0.469	41	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.9900	0.000	1	122.2716	0.469	41	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.2240	0.000	1	122.2716	0.469	41	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	121.9160	0.020	2	122.2716	0.469	41	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>}	O(C[6a]N[6a]2)	123.5330	0.000	1	123.5330	0.000	1	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	121.8636	0.282	5	121.9785	0.143	6	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)	122.5530	0.000	1	121.9785	0.143	6	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]N[6a]2)	122.4770	0.294	2	122.4770	0.087	2	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	121.7115	0.695	2	121.7115	0.483	2	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	123.4795	0.340	2	122.8893	0.528	4	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|H<1>,2|C<3>}	O(C[6a]N[6a]2)	122.1070	0.000	1	122.8893	0.528	4	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	122.4910	0.000	1	122.8893	0.528	4	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]N[6a]2)	120.9600	1.751	2	121.6084	0.317	80	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]N[6a]2)	121.5051	0.417	45	121.6084	0.317	80	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	121.8130	0.604	32	121.6084	0.317	80	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	121.0080	0.000	1	121.6084	0.317	80	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.2622	0.262	4	122.2622	0.069	4	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){2|H<1>,3|C<3>}	O(C[6a]N[6a]2)	122.4590	0.000	1	122.4590	0.000	1	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]N[6a]2)	124.6700	0.000	1	124.6700	0.000	1	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	123.5163	1.208	3	123.5163	1.460	3	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|H<1>}	O(C[6a]N[6a]2)	122.9820	0.000	1	122.6165	0.267	2	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>,2|H<1>}	O(C[6a]N[6a]2)	122.2510	0.000	1	122.6165	0.267	2	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,4|C<3>}	O(C[6a]N[6a]2)	124.1730	0.344	4	123.9559	0.144	7	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,4|C<3>}	O(C[6a]N[6a]2)	123.6663	0.186	3	123.9559	0.144	7	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	863	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]N[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)	C[6a](N[6a]N[6a]H)(N[6a]C[6a])(O){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]N[6a]2)	121.4500	0.000	1	121.4500	0.000	1	122.0784	0.862	218	121.8304	1.976	280	121.6934	3.228	325	121.6934	3.228	325
643	371	880	0:SP2_SP2_SP3	C[6a]	N[6a]	Si	3:2:4:	3:3:	3:3:3:3:	C[6a]-3:N[6a]-2:Si-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC[6a]3)	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)	Si(C[6a]C[6a]N[6a])3(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC[6a]3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C){1|C<3>,2|H<1>}	Si(C[6a]C[6a]N[6a])3(C[6a]C[6a]2)	114.3473	0.238	3	114.3473	0.057	3	114.3473	0.057	3	114.3473	0.057	3	114.5087	0.572	9	114.5087	0.572	9
643	371	880	0:SP2_SP2_SP3	C[6a]	N[6a]	Si	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:Si-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Si)	Si(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Si){2|H<1>,3|C<3>}	Si(C[6a]C[6a]N[6a])(CH3)3	114.9520	0.000	1	114.9520	0.000	1	115.1760	0.056	4	115.1760	0.056	4	114.5087	0.572	9	114.5087	0.572	9
643	371	880	0:SP2_SP2_SP3	C[6a]	N[6a]	Si	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:Si-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3)	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)	Si(C[6a]C[6a]N[6a])(CCHH)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]N){1|H<1>,2|C<3>}	Si(C[6a]C[6a]N[6a])(CCHH)3	115.5120	0.000	1	115.5120	0.000	1	115.1760	0.056	4	115.1760	0.056	4	114.5087	0.572	9	114.5087	0.572	9
643	371	880	0:SP2_SP2_SP3	C[6a]	N[6a]	Si	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:Si-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Si)	Si(C[6a]C[6a]N[6a])(CCHH)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Si){1|C<3>,1|H<1>,2|C<4>}	Si(C[6a]C[6a]N[6a])(CCHH)3	115.1160	0.000	1	115.1160	0.000	1	115.1760	0.056	4	115.1760	0.056	4	114.5087	0.572	9	114.5087	0.572	9
643	371	880	0:SP2_SP2_SP3	C[6a]	N[6a]	Si	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:Si-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3)	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]Si)	Si(C[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SiC3){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]Si){1|C<3>,2|C<4>,2|H<1>}	Si(C[6a]C[6a]N[6a])(CH3)3	115.1240	0.000	1	115.1240	0.000	1	115.1760	0.056	4	115.1760	0.056	4	114.5087	0.572	9	114.5087	0.572	9
643	371	880	0:SP2_SP2_SP3	C[6a]	N[6a]	Si	4:3:2:	3:3:	3:3:3:3:	Si-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:C[6a]-3:	C[6a](SiC[6a]C[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)	Si(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](SiC[6a]C[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]C){1|C<3>,2|H<1>}	Si(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(C[6a]C[6a]2)	113.4160	0.222	2	113.4160	0.049	2	113.4160	0.049	2	113.4160	0.049	2	114.5087	0.572	9	114.5087	0.572	9
643	371	887	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:3:	3:2:	3:4:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SCO)	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	S(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SCO){2|C<3>}	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>}	S(C[6a]C[6a]N[6a])(CH3)(O)	114.1227	0.659	3	114.1227	0.434	3	114.1227	0.434	3	114.1227	0.434	3	114.9225	1.331	6	114.9225	1.331	6
643	371	887	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	114.6110	0.000	1	114.6110	0.000	1	115.7223	0.975	3	115.7223	0.975	3	114.9225	1.331	6	114.9225	1.331	6
643	371	887	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])2(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	S(C[6a]C[6a]N[6a])2(O)	116.2780	0.311	2	116.2780	0.097	2	115.7223	0.975	3	115.7223	0.975	3	114.9225	1.331	6	114.9225	1.331	6
643	371	890	0:SP2_SP2_SP3	C[6a]	N[6a]	As	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:As-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2O)	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	As(C[6a]C[6a]N[6a])3(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C){1|C<3>,2|H<1>}	As(C[6a]C[6a]N[6a])3(O)	114.0373	0.346	3	114.0373	0.120	3	114.0373	0.120	3	114.0373	0.120	3	112.6269	3.422	7	112.6269	3.422	7
643	371	890	0:SP2_SP2_SP3	C[6a]	N[6a]	As	4:3:2:	3:3:	3:3:3:2:	As-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6a](AsC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C)	As(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(OCo)	C[6a](AsC[6a]C[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]As)(C[6a]C[6a]C){1|C<3>,2|H<1>}	As(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(OCo)	111.5690	1.812	4	111.5690	3.283	4	111.5690	3.283	4	111.5690	3.283	4	112.6269	3.422	7	112.6269	3.422	7
643	371	892	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(NH3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(NH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)3	119.7335	0.098	2	119.7335	0.010	2	118.8786	3.355	12	118.8786	3.355	12	119.0214	5.894	17	119.0214	5.894	17
643	371	892	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(NH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(NH3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(H)3	118.0680	0.000	1	118.0680	0.000	1	118.8786	3.355	12	118.8786	3.355	12	119.0214	5.894	17	119.0214	5.894	17
643	371	892	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(NH3)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(NH3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)3	120.1530	0.000	1	118.7787	4.336	9	118.8786	3.355	12	118.8786	3.355	12	119.0214	5.894	17	119.0214	5.894	17
643	371	892	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](N[6a]C[6a])2(NH3)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)3	C[6a](N[6a]C[6a])2(NH3){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)3	118.6069	2.157	8	118.7787	4.336	9	118.8786	3.355	12	118.8786	3.355	12	119.0214	5.894	17	119.0214	5.894	17
643	371	892	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)3	119.7930	0.000	1	119.7930	0.000	1	120.4045	0.748	2	120.4045	0.748	2	119.0214	5.894	17	119.0214	5.894	17
643	371	892	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NH3){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)3	121.0160	0.000	1	121.0160	0.000	1	120.4045	0.748	2	120.4045	0.748	2	119.0214	5.894	17	119.0214	5.894	17
643	371	892	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(H)2	121.6200	0.105	2	121.6200	0.011	2	121.6200	0.011	2	121.6200	0.011	2	119.0214	5.894	17	119.0214	5.894	17
643	371	892	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:4:	3:3:	3:4:4:1:	C[6a]-3:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]N[6a])(CH3)2(H)	112.7720	0.000	1	112.7720	0.000	1	112.7720	0.000	1	112.7720	0.000	1	119.0214	5.894	17	119.0214	5.894	17
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	2:3:	3:1:	N[6a]-2:N[6a]-2:O-2:	N[6a]-2:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(OH)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(OH){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	O(C[6a]N[6a]2)(H)	115.3250	0.000	1	115.3250	0.000	1	115.3250	0.000	1	115.3250	0.000	1	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:2:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](N[6a]N[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]N[6a])2(OC[6a]){1|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,1|N<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	116.4892	3.704	4	116.5704	11.520	59	116.5704	11.520	59	116.5704	11.520	59	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:2:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](N[6a]N[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]N[6a])2(OC[6a]){1|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|O<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	116.5990	3.424	51	116.5704	11.520	59	116.5704	11.520	59	116.5704	11.520	59	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:2:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](N[6a]N[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]N[6a])2(OC[6a]){1|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|S<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	116.2870	3.667	4	116.5704	11.520	59	116.5704	11.520	59	116.5704	11.520	59	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:2:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](N[6a]N[6a])2(OC)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]N[6a])2(OC){1|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|O<2>}	O(C[6a]N[6a]2)(CCHH)	117.1070	4.088	2	117.1070	16.716	2	117.1070	16.716	2	117.1070	16.716	2	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(OH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,1|O<1>,2|C<3>}	O(C[6a]N[6a]2)(H)	116.5840	0.000	1	116.5840	0.000	1	116.5840	0.000	1	116.8747	0.092	3	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]N[6a]O)(N[6a]C[6a]C)	O(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(OH){1|C<4>,2|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]C){1|C<3>,1|O<1>}	O(C[6a]N[6a]2)(H)	116.8510	0.000	1	116.8510	0.000	1	116.8510	0.000	1	116.8747	0.092	3	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:O-2:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(OH)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(OH){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|H<1>,3|N<2>}	O(C[6a]N[6a]2)(H)	117.1890	0.000	1	117.1890	0.000	1	117.1890	0.000	1	116.8747	0.092	3	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](N[6a]C[6a])2(OC[6])	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(C[6]C[6]2)	C[6a](N[6a]C[6a])2(OC[6]){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]N[6a]2)(C[6]C[6]2)	115.9472	2.301	12	115.9472	5.294	12	115.9472	5.294	12	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,3|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	116.2310	6.406	2	116.2310	41.042	2	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]2)	115.3970	4.523	2	115.3970	20.454	2	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.6610	0.000	1	115.7218	10.846	21	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	115.6041	3.144	18	115.7218	10.846	21	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	115.3115	6.298	2	115.7218	10.846	21	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	111.8140	0.000	1	111.8140	0.000	1	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	113.7102	1.135	25	113.7102	1.289	25	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Br<1>,1|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	115.4822	2.792	4	115.2778	9.774	32	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	115.2180	3.337	24	115.2778	9.774	32	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Cl<1>,1|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	115.4320	2.780	4	115.2778	9.774	32	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	112.2002	0.908	14	113.0730	2.793	55	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	113.3710	1.773	41	113.0730	2.793	55	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.3469	0.857	14	116.6967	9.437	36	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	115.0102	2.759	22	116.6967	9.437	36	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)2	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	118.4805	1.195	27	116.7771	9.464	260	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)2	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.2725	1.723	41	116.7771	9.464	260	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)2	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	116.4828	2.640	22	116.7771	9.464	260	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)2	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	115.9428	3.167	170	116.7771	9.464	260	115.9424	10.061	434	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(ON[5a])	N[6a](C[6a]N[6a]O)2	O(N[5a]C[5a,6a]N[5a])(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(ON[5a]){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(N[5a]C[5a,6a]N[5a])(C[6a]N[6a]2)	114.7935	4.839	6	114.7935	23.416	6	114.7935	23.416	6	115.9273	10.066	452	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(OC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(OC){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,1|N<2>,2|C<3>}	O(C[6a]N[6a]2)(CH3)	118.7870	0.000	1	118.7870	0.000	1	118.7870	0.000	1	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(OC)	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]O){4|C<3>}	O(C[6a]N[6a]2)(CH3)	119.3080	0.000	1	119.3080	0.000	1	119.3080	0.000	1	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(OC){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|N<2>}	O(C[6a]N[6a]2)(CH3)	111.7090	0.000	1	111.7090	0.000	1	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O){2|C<3>}	O(C[6a]N[6a]2)(CH3)	112.8630	0.000	1	112.8630	0.000	1	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,3|C<3>}	O(C[6a]N[6a]2)(CH3)	115.5245	4.216	2	115.5245	17.779	2	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|B<3>,1|C<3>}	O(C[6a]N[6a]2)(CC[6a]HH)	116.2420	3.360	2	116.2420	11.291	2	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>}	O(C[6a]N[6a]2)(CH3)	119.0910	0.000	1	119.0910	0.000	1	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]Ir)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|Ir<6>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Ir)(C[6a]N[6a]O){2|C<3>}	O(C[6a]N[6a]2)(CH3)	119.1933	1.171	3	119.1933	1.371	3	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(OC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)(CCHH)	112.6845	0.378	2	112.6845	0.143	2	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)(CC[6a]HH)	112.4750	0.000	1	115.4960	18.253	2	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|N<2>}	O(C[6a]N[6a]2)(CC[6a]HH)	118.5170	0.000	1	115.4960	18.253	2	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)(CH3)	115.9610	4.714	2	114.5067	10.226	4	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|N<3>}	O(C[6a]N[6a]2)(CH3)	113.0525	0.022	2	114.5067	10.226	4	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(OC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]N[6a]2)(CCHH)	117.8570	0.065	2	117.8570	0.004	2	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	O(C[6a]N[6a]2)(CH3)	119.3155	0.026	2	117.9592	8.227	4	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	O(C[6a]N[6a]2)(CH3)	116.6030	4.162	2	117.9592	8.227	4	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)(CC[6a]HH)	118.1200	0.000	1	114.9895	19.600	2	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|N<2>}	O(C[6a]N[6a]2)(CC[6a]HH)	111.8590	0.000	1	114.9895	19.600	2	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){2|C<3>}	O(C[6a]N[6a]2)(CH3)	111.9600	0.000	1	114.4086	11.139	8	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)(CH3)	115.2335	4.492	2	114.4086	11.139	8	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|N<3>}	O(C[6a]N[6a]2)(CH3)	118.4040	0.072	2	114.4086	11.139	8	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|Ir<6>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){2|C<3>}	O(C[6a]N[6a]2)(CH3)	112.0113	0.795	3	114.4086	11.139	8	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O){3|C<3>}	O(C[6a]N[6a]2)(CCHH)	116.1740	2.589	2	116.1740	6.705	2	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CC[6a]CH)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O){3|C<3>}	O(C[6a]N[6a]2)(CC[6a]CH)	116.0732	3.105	14	116.0732	9.641	14	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CH3)	119.1450	1.367	5	119.2930	1.625	6	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CH3)	120.0330	0.000	1	119.2930	1.625	6	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CCHH)	112.9817	0.436	3	114.5550	7.464	10	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CCHH)	115.2293	3.060	7	114.5550	7.464	10	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CC[6a]HH)	119.6470	0.164	2	117.8383	9.827	3	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CC[6a]HH)	114.2210	0.000	1	117.8383	9.827	3	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CH3)	113.5760	0.000	1	115.2870	12.077	3	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CH3)	116.1425	4.446	2	115.2870	12.077	3	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CCHH)	119.7043	0.449	3	116.8379	11.747	10	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CCHH)	113.6540	0.000	1	116.8379	11.747	10	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CCHH)	115.9353	3.623	6	116.8379	11.747	10	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CC[6a]HH)	113.0340	0.228	2	115.3603	10.536	10	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CC[6a]HH)	116.0875	3.207	4	115.3603	10.536	10	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CC[6a]HH)	115.7963	4.091	4	115.3603	10.536	10	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CH3)	115.0364	2.514	5	115.8277	8.118	10	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CH3)	119.4720	0.000	1	115.8277	8.118	10	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CH3)	116.3160	3.678	2	115.8277	8.118	10	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	O(C[6a]N[6a]2)(CH3)	115.4955	4.140	2	115.8277	8.118	10	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){3|C<3>}	O(C[6a]N[6a]2)(CH3)	114.5790	0.000	1	117.5124	6.011	7	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){1|C<3>,2|C<4>}	O(C[6a]N[6a]2)(CH3)	118.8665	0.589	4	117.5124	6.011	7	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){3|C<3>}	O(C[6a]N[6a]2)(CH3)	116.2710	4.001	2	117.5124	6.011	7	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]N[6a]2)(CCHH)	118.0414	3.091	7	117.2901	11.157	14	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]N[6a]2)(CCHH)	118.7060	0.000	1	117.2901	11.157	14	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]N[6a]2)(CCHH)	116.5012	3.303	4	117.2901	11.157	14	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(OC){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|H<1>}	O(C[6a]N[6a]2)(CCHH)	115.5305	6.353	2	117.2901	11.157	14	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]N[6a]2)(CC[6a]HH)	119.3810	0.000	1	116.4630	10.487	11	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]N[6a]2)(CC[6a]HH)	115.8843	3.308	4	116.4630	10.487	11	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]N[6a]2)(CC[6a]HH)	116.3625	3.525	6	116.4630	10.487	11	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]N[6a]2)(CH3)	113.5720	0.024	2	116.1525	10.291	88	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]N[6a]2)(CH3)	114.4810	2.704	8	116.1525	10.291	88	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]N[6a]2)(CH3)	116.4686	3.090	70	116.1525	10.291	88	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(OC){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|C<4>}	O(C[6a]N[6a]2)(CH3)	115.7030	4.492	8	116.1525	10.291	88	116.2047	9.944	222	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:	C[6a](N[6a]C[6a])2(OC[4])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(C[4]C[4]2C)	C[6a](N[6a]C[6a])2(OC[4]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)(C[4]C[4]2C)	113.0850	0.000	1	113.0850	0.000	1	116.4455	22.586	2	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:	C[6a](N[6a]C[6a])2(OC[4])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(C[4]C[4]2C)	C[6a](N[6a]C[6a])2(OC[4]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]N[6a]2)(C[4]C[4]2C)	119.8060	0.000	1	119.8060	0.000	1	116.4455	22.586	2	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](N[6a]C[6a])2(OC[6])	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(C[6]C[6]2H)	C[6a](N[6a]C[6a])2(OC[6]){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	O(C[6a]N[6a]2)(C[6]C[6]2H)	116.5455	3.010	6	116.5455	9.062	6	116.5455	9.062	6	116.2401	9.881	232	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(OH)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(OH){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]O){2|C<3>,3|C<4>}	O(C[6a]C[6a]N[6a])(H)	115.3285	0.503	2	115.3285	0.253	2	115.3285	0.253	2	116.8263	6.857	3	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OH){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])(H)	119.8220	0.000	1	119.8220	0.000	1	119.8220	0.000	1	116.8263	6.857	3	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:2:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]O)(OC){1|C<2>,1|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<2>,1|C<3>,1|N<2>,1|O<2>}	O(C[6a]C[6a]N[6a])(CC)	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.1620	0.000	1	118.1620	0.000	1	118.1620	0.000	1	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:P-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OP)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(PCC)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|Pt<6>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(PCC)	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(COO)	115.2770	0.000	1	115.2770	0.000	1	115.2770	0.000	1	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.6330	0.000	1	119.6330	0.000	1	120.2998	2.092	35	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.8200	0.000	1	118.8200	0.000	1	120.2998	2.092	35	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])2	117.5490	2.763	2	117.5490	7.636	2	120.2998	2.092	35	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.7191	0.879	9	119.7191	0.772	9	120.2998	2.092	35	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	121.2700	0.000	1	121.2700	0.000	1	120.2998	2.092	35	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	121.5695	0.728	14	121.5695	0.530	14	120.2998	2.092	35	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a]){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.4611	0.448	7	119.4611	0.201	7	120.2998	2.092	35	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O){1|S<2>,4|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	122.0220	0.000	1	122.0220	0.000	1	122.0220	0.000	1	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]N[6a]O){1|S<2>,4|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	121.6690	0.000	1	121.6690	0.000	1	121.3007	1.249	16	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|O<2>,4|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	121.8860	0.000	1	121.8860	0.000	1	121.3007	1.249	16	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|C<2>,1|N<3>,3|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	122.3625	0.258	4	122.3625	0.067	4	121.3007	1.249	16	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	121.5455	1.218	2	121.5455	1.484	2	121.3007	1.249	16	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O){4|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	120.6520	0.000	1	120.6520	0.000	1	121.3007	1.249	16	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|C<4>,1|O<2>,3|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	121.6630	0.532	2	121.6630	0.283	2	121.3007	1.249	16	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|N<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.4630	0.000	1	119.5060	0.563	3	121.3007	1.249	16	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,2|C<3>,2|N<2>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	119.5275	1.060	2	119.5060	0.563	3	121.3007	1.249	16	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	121.1095	0.349	2	121.1095	0.122	2	121.3007	1.249	16	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]O){5|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	121.4253	0.080	3	121.4253	0.006	3	121.7694	0.445	5	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:3:	N[6a]-2:N[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]2)(C[6a]N[6a]2)	122.2855	0.937	2	122.2855	0.878	2	121.7694	0.445	5	120.6051	2.471	60	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.4120	0.000	1	119.4120	0.000	1	118.7358	0.647	5	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])(CH3)	118.2033	0.465	3	118.2033	0.216	3	118.7358	0.647	5	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(OC)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O){1|H<1>,2|O<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.6570	0.000	1	119.6570	0.000	1	118.7358	0.647	5	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	115.1442	3.538	6	115.1442	12.515	6	117.3051	16.658	10	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|O<1>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.9520	0.000	1	116.9520	0.000	1	117.3051	16.658	10	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)(OC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O){2|N<2>,2|O<2>}	O(C[6a]C[6a]N[6a])(CCHH)	121.7447	0.197	3	121.7447	0.039	3	117.3051	16.658	10	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){3|C<3>}	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.7828	0.491	9	119.7828	0.241	9	119.2257	3.272	24	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.7835	0.305	2	116.7835	0.093	2	119.2257	3.272	24	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(OC){1|N<2>,2|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|C<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	120.2980	0.000	1	120.2980	0.000	1	119.2257	3.272	24	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	119.3755	0.081	2	119.3755	0.007	2	119.2257	3.272	24	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]O){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.4220	0.000	1	119.4220	0.000	1	119.2257	3.272	24	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.4760	3.144	6	119.0370	7.120	9	119.2257	3.272	24	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.1900	0.000	1	119.0370	7.120	9	119.2257	3.272	24	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	120.6435	0.682	2	119.0370	7.120	9	119.2257	3.272	24	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	118.7140	0.000	1	118.7140	0.000	1	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	120.2095	0.418	4	120.2095	0.174	4	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.0054	0.841	13	119.1384	0.717	16	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.7147	0.719	3	119.1384	0.717	16	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	119.6840	0.270	2	119.6840	0.073	2	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	121.1200	0.000	1	121.1200	0.000	1	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	120.8190	0.585	4	120.8190	0.342	4	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.1350	0.000	1	119.9068	0.828	6	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.5785	1.473	2	119.9068	0.828	6	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	120.3830	0.489	3	119.9068	0.828	6	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|N<2>}	O(C[6a]C[6a]N[6a])(CCHH)	122.1870	0.988	3	122.1870	0.976	3	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	121.5950	0.000	1	121.1240	0.444	2	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	120.6530	0.000	1	121.1240	0.444	2	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	121.7940	0.000	1	121.7940	0.000	1	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	122.2590	0.945	2	122.2590	0.892	2	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|N<2>}	O(C[6a]C[6a]N[6a])(CH3)	122.5040	0.000	1	122.5040	0.000	1	120.1534	1.744	43	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	121.0990	0.199	2	121.0990	0.040	2	121.0990	0.040	2	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|O<2>,4|C<3>}	O(C[6a]N[6a]2)(CCHH)	122.3330	0.000	1	121.8580	0.451	2	121.2507	0.641	7	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O){1|S<2>,4|C<3>}	O(C[6a]N[6a]2)(CCHH)	121.3830	0.000	1	121.8580	0.451	2	121.2507	0.641	7	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|N<2>}	O(C[6a]N[6a]2)(CCHH)	120.9450	0.000	1	120.9450	0.000	1	121.2507	0.641	7	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|N<2>}	O(C[6a]N[6a]2)(CH3)	120.6370	0.330	2	120.6370	0.109	2	121.2507	0.641	7	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	O(C[6a]N[6a]2)(CCHH)	120.5020	0.000	1	120.5020	0.000	1	121.2507	0.641	7	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(OC)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	O(C[6a]N[6a]2)(CH3)	122.3180	0.000	1	122.3180	0.000	1	121.2507	0.641	7	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6a]N[6a]2)(CH3)	122.0145	0.018	2	122.0145	0.000	2	121.8355	0.049	4	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O){1|C<3>,1|H<1>,3|C<4>}	O(C[6a]N[6a]2)(CH3)	121.7540	0.000	1	121.6565	0.019	2	121.8355	0.049	4	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]N[6a]2)(CH3)	121.5590	0.000	1	121.6565	0.019	2	121.8355	0.049	4	119.7162	4.471	95	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:2:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[6a]){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]){3|C<3>}	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	119.4730	0.000	1	119.4730	0.000	1	119.4730	0.000	1	118.3897	0.921	3	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:2:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.8480	0.284	2	117.8480	0.081	2	117.8480	0.081	2	118.3897	0.921	3	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:2:	3:4:	C[6,6,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC)	N[6a](C[6a]C[6,6,6a]O)(N[6a]C[6a])	O(C[6a]C[6,6,6a]N[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6,6,6a]O)(N[6a]C[6a]){1|C<4>,2|C<3>}	O(C[6a]C[6,6,6a]N[6a])(CH3)	119.8540	0.175	2	119.8540	0.031	2	119.8540	0.031	2	119.4157	0.623	12	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.0740	0.000	1	118.2050	0.034	2	119.3280	0.707	10	119.4157	0.623	12	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(OC){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.3360	0.000	1	118.2050	0.034	2	119.3280	0.707	10	119.4157	0.623	12	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B[5])(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]B[5])(N[6a]N[6a])(OC){1|C<3>,1|H<1>,2|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|B<3>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.2360	0.000	1	118.2360	0.000	1	119.3280	0.707	10	119.4157	0.623	12	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	119.6820	0.000	1	119.6820	0.000	1	119.3280	0.707	10	119.4157	0.623	12	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.5743	0.237	4	119.8253	0.202	6	119.3280	0.707	10	119.4157	0.623	12	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:2:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])(CH3)	120.3275	0.289	2	119.8253	0.202	6	119.3280	0.707	10	119.4157	0.623	12	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[5,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(OH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]O)	O(C[6a]C[5,6a]N[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]O){1|N<2>,4|C<3>}	O(C[6a]C[5,6a]N[6a])(H)	116.8450	0.000	1	116.8450	0.000	1	116.8450	0.000	1	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])(H)	118.9850	0.321	2	118.9850	0.103	2	119.6218	0.746	9	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)	O(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H){1|O<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])(H)	119.8037	0.896	7	119.8037	0.803	7	119.6218	0.746	9	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(OH){1|O<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O){3|C<3>}	O(C[6a]C[6a]N[6a])(H)	114.3790	0.000	1	114.3790	0.000	1	117.0669	3.097	20	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(H)	117.6240	0.000	1	117.6240	0.000	1	117.0669	3.097	20	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(H)	115.7297	0.079	3	115.7297	0.006	3	117.0669	3.097	20	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])(H)	118.5122	0.845	6	117.9116	3.120	7	117.0669	3.097	20	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(H)	114.3080	0.000	1	117.9116	3.120	7	117.0669	3.097	20	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(H)	117.9400	0.000	2	117.9400	0.000	2	117.0669	3.097	20	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(H)	118.7990	0.000	1	118.7485	0.005	2	117.0669	3.097	20	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(H)	118.6980	0.000	1	118.7485	0.005	2	117.0669	3.097	20	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(H)	115.8750	0.167	2	115.8750	0.028	2	117.0669	3.097	20	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	O(C[6a]C[6a]N[6a])(H)	115.8185	3.007	2	115.8185	9.044	2	117.0669	3.097	20	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]N[6a])(H)	119.3290	0.000	1	119.3290	0.000	1	118.9545	0.281	2	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]H)	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]N[6a])(H)	118.5800	0.000	1	118.5800	0.000	1	118.9545	0.281	2	117.8965	3.516	32	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(ON)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(ON){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(NC)	111.5050	0.059	2	111.5050	0.004	2	111.8610	0.198	4	111.8610	0.198	4	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(ON)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(NC)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(ON){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>}	O(C[6a]C[6a]N[6a])(NC)	112.2170	0.288	2	112.2170	0.083	2	111.8610	0.198	4	111.8610	0.198	4	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]N[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC){1|C<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCC)	114.1410	0.000	1	114.8785	1.088	2	116.5337	8.763	3	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]N[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCC)	115.6160	0.000	1	114.8785	1.088	2	116.5337	8.763	3	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	O(C[6a]C[6a,6a]N[6a])(CC[6a]C)	119.8440	0.000	1	119.8440	0.000	1	116.5337	8.763	3	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>}	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	120.8495	0.948	2	120.8495	0.899	2	120.8495	0.899	2	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)	O(C[6a]C[6a,6a]N[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C){1|O<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])(CC[6a]O)	114.2050	0.000	1	114.2050	0.000	1	114.2050	0.000	1	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(OC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(OC[6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	114.7210	0.000	1	114.7210	0.000	1	114.7210	0.000	1	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:As-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OAs)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(AsC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OAs){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(AsC[6a]O)	116.6235	0.537	2	116.6235	0.288	2	116.6235	0.288	2	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]O)	116.7160	0.000	1	116.7160	0.000	1	115.3717	4.634	6	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CNO)	113.9830	0.000	1	113.9830	0.000	1	115.3717	4.634	6	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])(COO)	114.2103	1.212	3	114.2103	1.470	3	115.3717	4.634	6	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|N<3>}	O(C[6a]C[6a]N[6a])(CCC)	118.9000	0.000	1	118.9000	0.000	1	115.3717	4.634	6	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	119.8903	0.675	3	119.8903	0.456	3	120.0428	0.927	6	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|N<2>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	119.4225	0.047	2	119.4225	0.002	2	120.0428	0.927	6	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	121.7410	0.000	1	121.7410	0.000	1	120.0428	0.927	6	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|N<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O){1|C<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.3060	0.000	1	120.3060	0.000	1	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.7960	0.000	1	119.7960	0.000	1	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	115.7810	0.000	1	115.7810	0.000	1	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.1170	0.000	1	116.3796	2.247	8	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.9886	1.093	7	116.3796	2.247	8	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|C<3>,2|C<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.3763	0.545	10	119.3763	0.297	10	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.2260	0.000	1	119.6640	0.384	2	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.1020	0.000	1	119.6640	0.384	2	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)2{2|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.2537	0.633	4	120.2537	0.401	4	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|F<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.8920	1.188	2	120.8920	1.411	2	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.2620	0.000	1	118.7370	0.201	3	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.7960	0.000	1	118.7370	0.201	3	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.1530	0.000	1	118.7370	0.201	3	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])2	117.8030	0.000	1	117.8030	0.000	1	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	119.0820	0.000	1	119.0820	0.000	1	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.2540	0.000	1	119.0264	0.238	13	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.9363	0.341	4	119.0264	0.238	13	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.0430	0.588	8	119.0264	0.238	13	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.2631	3.844	10	115.2631	14.779	10	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	119.5279	1.823	16	119.5279	3.324	16	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	120.5860	0.148	2	120.5860	0.022	2	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.9600	3.524	5	117.2407	10.406	6	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.6440	0.000	1	117.2407	10.406	6	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.4732	3.475	8	115.4732	12.076	8	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	119.3290	0.000	1	119.3290	0.000	1	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.2153	0.388	3	119.2153	0.150	3	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.5233	0.627	3	118.5233	0.393	3	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])2	117.4480	2.827	2	117.4480	7.992	2	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.0410	0.000	1	120.0410	0.000	1	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.7460	0.789	2	119.7460	0.623	2	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|N<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.8124	0.343	5	120.8124	0.117	5	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){1|N<2>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.5413	0.334	7	120.5413	0.111	7	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.4022	0.214	4	120.4022	0.046	4	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|N<2>,2|H<1>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.9943	1.456	67	118.9943	2.120	67	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.5320	0.000	1	119.5320	0.000	1	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.6060	3.685	2	118.6060	13.582	2	118.7301	4.821	187	118.5985	5.249	208	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)	O(C[6a]C[5,6a]N[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>}	O(C[6a]C[5,6a]N[6a])(CH3)	120.4990	0.000	1	120.4990	0.000	1	119.3103	1.061	3	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]S)	O(C[6a]C[5,6a]N[6a])(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(OC){1|N<2>,1|S<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]S){1|C<3>,1|C<4>}	O(C[6a]C[5,6a]N[6a])(CCHH)	118.7160	0.052	2	118.7160	0.003	2	119.3103	1.061	3	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[5a,6a])(OC)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]O)	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[5a,6a])(OC){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]O){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	121.3610	0.000	1	121.3610	0.000	1	121.3610	0.000	1	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(OC){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[5a,6a]N[6a])(CH3)	120.5250	0.000	1	120.5250	0.000	1	120.5250	0.000	1	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)	O(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O){4|C<3>}	O(C[6a]C[5a,6a]N[6a])(CCHH)	120.1010	0.000	1	120.1010	0.000	1	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	O(C[6a]C[5a,6a]N[6a])(CH3)	120.6230	0.000	1	120.2330	0.069	4	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	O(C[6a]C[5a,6a]N[6a])(CH3)	120.1030	0.039	3	120.2330	0.069	4	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	O(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	O(C[6a]C[5a,6a]N[6a])(CCHH)	112.8060	0.000	1	117.2190	38.949	2	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	O(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	O(C[6a]C[5a,6a]N[6a])(CCHH)	121.6320	0.000	1	117.2190	38.949	2	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	O(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	O(C[6a]C[5a,6a]N[6a])(CCHH)	122.1310	0.000	1	122.1310	0.000	1	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	O(C[6a]C[5a,6a]N[6a])(CH3)	120.7910	0.600	2	120.9340	0.206	4	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<3>,1|S<4>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	O(C[6a]C[5a,6a]N[6a])(CH3)	121.0770	0.420	2	120.9340	0.206	4	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])(CH3)	121.8340	0.000	1	121.9333	0.298	3	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])(CH3)	121.9830	0.762	2	121.9333	0.298	3	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]I)	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|I<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]I){1|C<3>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])(CC[6]HH)	121.2270	0.000	1	121.2270	0.000	1	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	O(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	119.3310	0.000	1	119.3310	0.000	1	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	O(C[6a]C[5a,6a]N[6a])(CH3)	120.6920	0.000	1	120.6920	0.000	1	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[5a,6a]N[6a])(CH3)	121.6450	0.000	1	121.6450	0.000	1	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>}	O(C[6a]C[5a,6a]N[6a])(CH3)	121.6780	0.000	1	121.6780	0.000	1	120.5856	4.021	20	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	O(C[6a]C[5a,6a]N[6a])(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	O(C[6a]C[5a,6a]N[6a])(SC[6a]OO)	119.7370	0.000	1	119.7370	0.000	1	118.5048	2.778	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])	O(C[6a]C[5a,6a]N[6a])(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6]){2|C<3>,2|C<4>}	O(C[6a]C[5a,6a]N[6a])(SC[6a]OO)	116.2840	0.000	1	116.2840	0.000	1	118.5048	2.778	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	O(C[6a]C[5a,6a]N[6a])(SCOO)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	O(C[6a]C[5a,6a]N[6a])(SCOO)	118.1640	0.000	1	118.1640	0.000	1	118.5048	2.778	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	O(C[6a]C[5a,6a]N[6a])(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(OS){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	O(C[6a]C[5a,6a]N[6a])(SC[6a]OO)	119.8340	0.000	1	119.8340	0.000	1	118.5048	2.778	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6,6a]N[6a])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6,6a]N[6a])(CCHH)	116.3925	0.935	4	116.3925	0.875	4	116.3925	0.875	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OC){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O){1|C<4>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	119.8200	0.000	1	119.8200	0.000	1	119.8200	0.000	1	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OS)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])(SCOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(OS){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])(SCOO)	117.6505	0.487	2	117.6505	0.237	2	117.6505	0.237	2	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O){1|C<4>,1|S<4>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	119.9220	0.000	1	119.9220	0.000	1	119.8465	0.019	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(OC){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O){1|C<4>,3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	119.8213	0.156	3	119.8213	0.024	3	119.8465	0.019	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])(CH3)	120.3490	0.793	2	120.3490	0.629	2	120.3490	0.629	2	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])(CC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])(CC3)	120.1640	0.000	1	120.1640	0.000	1	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	119.2850	0.000	1	119.5150	0.106	2	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){5|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	119.7450	0.000	1	119.5150	0.106	2	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2){5|C<3>}	O(C[6a]C[6a,6a]N[6a])(CH3)	119.9550	0.000	1	119.9550	0.000	1	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	119.9870	0.000	1	119.9870	0.000	1	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CH3)	119.9780	0.000	1	119.9780	0.000	1	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|Br<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	120.2810	0.000	1	120.2810	0.000	1	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H){3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CH3)	120.1090	0.231	2	120.1090	0.053	2	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	121.3950	0.000	1	120.5335	1.484	2	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O){3|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	119.6720	0.000	1	120.5335	1.484	2	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>}	O(C[6a]C[6a,6a]N[6a])(CH3)	120.2720	0.000	1	120.2720	0.000	1	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|N<2>,3|N<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N){2|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	119.8440	0.000	1	119.8440	0.000	1	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){2|N<2>,3|N<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N){2|C<3>}	O(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	118.9800	0.000	1	118.9800	0.000	1	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	O(C[6a]C[6a,6a]N[6a])(CCHH)	119.6830	0.000	1	119.6830	0.000	1	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	O(C[6a]C[6a,6a]N[6a])(CH3)	119.7480	0.000	1	119.7480	0.000	1	119.9504	0.272	16	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OS)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a,6a]N[6a])(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OS){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S){2|C<3>}	O(C[6a]C[6a,6a]N[6a])(SC[6a]OO)	120.2500	0.000	1	120.2500	0.000	1	120.2500	0.000	1	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[5])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2)	O(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[5]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]2H)	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	119.4130	0.000	1	119.4130	0.000	1	120.0560	0.320	10	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a,6a])(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.9550	0.000	1	119.9550	0.000	1	120.0560	0.320	10	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|C<4>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.9300	0.000	1	120.1128	0.570	5	120.0560	0.320	10	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	120.3363	0.964	3	120.1128	0.570	5	120.0560	0.320	10	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(OC){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|C<4>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.6250	0.000	1	120.1128	0.570	5	120.0560	0.320	10	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(OC){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	120.3640	0.000	1	120.3640	0.000	1	120.0560	0.320	10	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(OC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(OC){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	120.1320	0.232	2	120.1320	0.054	2	120.0560	0.320	10	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:B-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OB)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(BN[6]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OB){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(BN[6]OO)	120.0913	0.359	3	120.0913	0.129	3	120.0913	0.129	3	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a])(OC){1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O){3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.5750	1.277	2	118.5750	1.631	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCCH)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])(CCCH)	120.0315	0.227	2	120.0315	0.052	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	109.8330	0.000	1	109.8330	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[5a]HH)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(OC){1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CC[5a]HH)	119.5620	0.000	1	119.5620	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])(CH3)	118.5490	0.000	1	118.5490	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	120.1320	0.000	1	120.1320	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.3660	0.000	1	118.3435	1.911	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.3210	0.000	1	118.3435	1.911	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.5700	0.467	2	118.5700	0.218	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	116.9560	0.000	1	116.9560	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.5690	0.274	4	118.5690	0.075	4	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	116.6287	0.283	4	117.3089	0.708	8	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(OC){1|O<2>,1|P<4>,3|C<3>}	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.9890	0.583	4	117.3089	0.708	8	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]B)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|B<3>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.3610	0.030	2	118.3610	0.001	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Br<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.1695	0.533	4	119.1695	0.285	4	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	N[6a](C[6a]C[6a]O)2{1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.9615	0.117	2	118.9615	0.014	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O){2|C<2>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	120.1470	0.000	1	120.1470	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	120.2733	0.131	4	120.1721	0.144	11	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	120.1143	0.469	7	120.1721	0.144	11	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.6907	0.386	3	119.6168	0.069	6	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.5430	0.079	3	119.6168	0.069	6	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	118.6430	0.000	1	119.7937	1.059	3	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	120.6250	0.000	1	119.7937	1.059	3	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CCHH)	120.1130	0.000	1	119.7937	1.059	3	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CH3)	120.3425	0.067	2	120.3425	0.005	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CCCH)	118.7400	0.000	1	118.7400	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	120.1910	0.000	1	120.1910	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.3360	0.000	1	117.9000	0.290	5	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.9355	0.144	2	117.9000	0.290	5	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.1465	0.835	2	117.9000	0.290	5	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>}	O(C[6a]C[6a]N[6a])(CCHH)	119.2790	0.000	1	119.2790	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<2>,1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	120.2050	0.000	1	119.0420	0.405	6	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	118.7617	0.356	3	119.0420	0.405	6	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	118.8810	0.359	2	119.0420	0.405	6	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,2|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	119.3100	0.000	1	119.3100	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.4380	0.133	2	118.4380	0.018	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.0590	0.000	1	117.9085	2.647	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	116.7580	0.000	1	117.9085	2.647	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC3)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CC3)	119.7650	0.000	1	119.7650	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.0053	1.511	3	118.0053	2.284	3	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.0331	0.553	10	117.0331	0.306	10	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	120.0705	0.527	2	120.0705	0.278	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]O){2|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(CCHH)	119.5410	0.000	1	119.5410	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Cl<1>,1|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.8440	0.157	4	119.8440	0.025	4	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|C<3>,2|F<1>}	O(C[6a]C[6a]N[6a])(CCHH)	120.9960	0.584	6	120.9960	0.341	6	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.2690	0.000	1	119.2690	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	118.7270	0.014	2	118.7270	0.000	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.3460	0.000	1	119.1273	0.141	7	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.9515	0.336	4	119.1273	0.141	7	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.3695	0.466	2	119.1273	0.141	7	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	119.6290	0.000	1	119.0580	0.652	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	118.4870	0.000	1	119.0580	0.652	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.7410	0.000	1	119.5316	0.449	17	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.0970	0.443	4	119.5316	0.449	17	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.5083	0.234	3	119.5316	0.449	17	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.9440	0.000	1	119.5316	0.449	17	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.9650	0.000	1	119.5316	0.449	17	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	120.1128	0.700	6	119.5316	0.449	17	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.7970	0.000	1	119.5316	0.449	17	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCCH)	119.2510	0.000	1	118.7897	0.939	3	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CCCH)	118.5590	1.249	2	118.7897	0.939	3	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]CH)	120.1400	0.000	1	119.0052	0.563	5	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]CH)	118.7215	0.463	4	119.0052	0.563	5	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.6730	0.000	1	118.7747	5.771	18	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])(CH3)	120.4870	0.195	2	118.7747	5.771	18	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<4>}	O(C[6a]C[6a]N[6a])(CH3)	112.1330	0.000	1	118.7747	5.771	18	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.8466	2.256	10	118.7747	5.771	18	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.1745	0.506	4	118.7747	5.771	18	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.7300	0.000	1	118.7300	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.8120	0.351	2	118.8120	0.123	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.3770	0.086	2	119.3770	0.007	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	119.5860	0.000	1	119.5860	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	119.9620	0.000	1	119.9620	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	118.7675	0.008	2	118.7675	0.000	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	118.4720	0.000	1	117.0017	8.273	9	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	115.3468	3.889	4	117.0017	8.273	9	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	118.7930	0.167	2	117.0017	8.273	9	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	117.7850	0.093	2	117.0017	8.273	9	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.3560	0.148	2	116.8188	11.343	90	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.7064	2.566	5	116.8188	11.343	90	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	116.0650	5.579	2	116.8188	11.343	90	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	116.6583	3.388	81	116.8188	11.343	90	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	118.5930	0.000	1	118.5930	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.2345	0.834	2	118.3763	2.200	26	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.3881	1.536	24	118.3763	2.200	26	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|S<2>,2|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	119.4110	0.000	1	119.4110	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.2100	0.000	1	117.8047	8.230	15	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.6420	1.079	2	117.8047	8.230	15	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	116.5751	3.526	8	117.8047	8.230	15	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<2>,1|S<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	119.4940	0.228	4	117.8047	8.230	15	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.5590	0.392	4	118.3080	0.582	20	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	N[6a](C[6a]C[6a]O)2{1|Br<1>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	118.3980	0.140	2	118.3080	0.582	20	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>,1|P<4>}	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.9425	1.384	4	118.3080	0.582	20	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|H<1>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.9357	0.416	10	118.3080	0.582	20	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]Sn)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Sn<3>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Sn)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(CC3)	121.4750	0.000	1	121.4750	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.9967	0.499	4	118.9967	0.249	4	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	119.5200	0.000	1	119.5200	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O){1|H<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CH3)	118.8785	0.240	2	118.8785	0.057	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])(CCHH)	119.4450	0.000	1	119.4450	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|N<3>}	O(C[6a]C[6a]N[6a])(CCHH)	119.0890	0.000	1	119.0890	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	119.6190	0.000	1	119.6190	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.7515	0.019	2	119.7515	0.000	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])(CH3)	119.3810	0.000	1	119.9130	0.566	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])(CH3)	120.4450	0.000	1	119.9130	0.566	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	118.9970	0.656	4	119.6916	0.603	18	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	119.8901	0.706	14	119.6916	0.603	18	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])(CH3)	119.2550	0.485	8	119.6505	0.392	20	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])(CH3)	119.3115	0.484	2	119.6505	0.392	20	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])(CH3)	119.7912	0.377	5	119.6505	0.392	20	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])(CH3)	120.2780	0.602	5	119.6505	0.392	20	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	119.5810	0.000	1	119.5810	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|N<3>}	O(C[6a]C[6a]N[6a])(CH3)	117.7685	0.047	2	117.7685	0.002	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|N<2>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	119.3195	0.431	2	119.3195	0.185	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>}	O(C[6a]C[6a]N[6a])(CH3)	120.1470	0.000	1	120.1470	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|N<2>}	O(C[6a]C[6a]N[6a])(CCHH)	121.3850	0.000	1	121.3850	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|O<2>}	O(C[6a]C[6a]N[6a])(CH3)	120.7730	0.195	2	120.7730	0.038	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	118.1980	0.034	2	118.1980	0.001	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>}	O(C[6a]C[6a]N[6a])(CH3)	118.5520	0.523	2	118.5520	0.274	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|N<2>,2|H<1>}	O(C[6a]C[6a]N[6a])(CH3)	121.3190	0.000	1	121.3190	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|N<2>,2|H<1>}	O(C[6a]C[6a]N[6a])(CCHH)	119.9694	0.655	10	119.9694	0.429	10	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]N[6a])(CCHH)	122.6710	0.804	3	122.6710	0.647	3	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	122.6160	0.000	1	122.6160	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]N[6a])(CH3)	122.6840	0.000	1	121.6730	2.044	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]N[6a])(CH3)	120.6620	0.000	1	121.6730	2.044	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	121.4710	0.000	1	121.7290	0.133	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|N<2>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	121.9870	0.000	1	121.7290	0.133	2	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]N[6a])(CH3)	122.5365	0.028	2	122.5982	0.009	4	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]N[6a])(CH3)	122.5880	0.000	1	122.5982	0.009	4	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|N<2>}	O(C[6a]C[6a]N[6a])(CH3)	122.7320	0.000	1	122.5982	0.009	4	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	O(C[6a]C[6a]N[6a])(CCHH)	122.8790	0.000	1	122.8790	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|N<2>,1|O<2>}	O(C[6a]C[6a]N[6a])(CH3)	122.0750	0.000	1	122.0750	0.000	1	118.5797	5.520	419	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[5])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(C[5]C[5]2H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[5]){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>}	O(C[6a]C[6a]N[6a])(C[5]C[5]2H)	118.4450	0.000	1	118.4450	0.000	1	118.4450	0.000	1	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6])	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6]){1|C<2>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|C<3>,2|O<2>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	120.6710	0.000	1	120.6710	0.000	1	120.6710	0.000	1	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OP)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(POOS)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OP){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O){2|Cl<1>,1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])(POOS)	116.9930	0.000	1	116.9930	0.000	1	114.9385	3.998	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(PC[6a]3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(PC[6a]3)	116.1340	0.000	1	116.1340	0.000	1	114.9385	3.998	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP)	N[6a](C[6a]C[6a]O)2	O(C[6a]C[6a]N[6a])(PNiCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)2{1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(PNiCC)	114.0420	0.000	1	114.0420	0.000	1	114.9385	3.998	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]Pt)(N[6a]C[6a])(OP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(PPtCC)	C[6a](C[6a]C[6a]Pt)(N[6a]C[6a])(OP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(PPtCC)	112.5850	0.000	1	112.5850	0.000	1	114.9385	3.998	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	115.9465	0.518	2	116.5910	1.240	6	116.3329	1.500	7	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|H<1>}	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	116.9133	1.250	4	116.5910	1.240	6	116.3329	1.500	7	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	O(C[6a]C[6a]N[6a])(P[6]O[6]2S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	O(C[6a]C[6a]N[6a])(P[6]O[6]2S)	114.7840	0.000	1	114.7840	0.000	1	116.3329	1.500	7	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(SCOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>}	O(C[6a]C[6a]N[6a])(SCOO)	116.6480	0.000	2	116.6480	0.000	2	116.6480	0.000	2	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OSi)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]C[6a]N[6a])(SiC3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OSi){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,2|C<4>}	O(C[6a]C[6a]N[6a])(SiC3)	117.8430	0.044	2	117.8430	0.002	2	119.2280	2.558	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6a]C[6a]N[6a])(SiC3)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>}	O(C[6a]C[6a]N[6a])(SiC3)	120.6130	0.006	2	120.6130	0.000	2	119.2280	2.558	4	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2){1|H<1>,1|O<1>,3|C<3>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	119.8500	0.000	1	119.8500	0.000	1	119.6380	0.090	2	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C)	O(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	O(C[6a]C[6a]N[6a])(CC[6a]HH)	119.4260	0.000	1	119.4260	0.000	1	119.6380	0.090	2	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	N[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)	O(C[6a]N[5a,6a]N[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]N[5a,6a]N[6a])(CH3)	123.7390	0.000	1	123.7390	0.000	1	125.4310	2.302	3	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	N[5a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)	O(C[6a]N[5a,6a]N[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>}	O(C[6a]N[5a,6a]N[6a])(CH3)	126.2770	0.557	2	126.2770	0.310	2	125.4310	2.302	3	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)(CH3)	121.2260	0.000	1	120.9793	0.066	3	121.6618	0.404	11	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[6a]2)(CH3)	120.7120	0.000	1	120.9793	0.066	3	121.6618	0.404	11	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	O(C[6a]N[6a]2)(CH3)	121.0000	0.000	1	120.9793	0.066	3	121.6618	0.404	11	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|C<4>}	O(C[6a]N[6a]2)(CH3)	121.6130	0.460	4	121.6130	0.212	4	121.6618	0.404	11	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	O(C[6a]N[6a]2)(CH3)	121.7870	0.000	1	121.7870	0.000	1	121.6618	0.404	11	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	O(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[6a]2)(CH3)	122.5870	0.000	1	122.5870	0.000	1	121.6618	0.404	11	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|H<1>}	O(C[6a]N[6a]2)(CCHH)	122.6340	0.000	1	122.2580	0.283	2	121.6618	0.404	11	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]O)2	O(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]O)2{1|C<3>,2|H<1>}	O(C[6a]N[6a]2)(CCHH)	121.8820	0.000	1	122.2580	0.283	2	121.6618	0.404	11	118.8022	5.624	527	117.6631	9.508	1700	117.6631	9.508	1700
643	371	893	0:SP2_SP2_SP2	C[6a]	N[6a]	O	3:2:2:	3:3:	4:3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[5,6])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)	O(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[5,6]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]N[6a])	119.2780	0.445	6	119.2780	0.198	6	119.2780	0.198	6	119.2780	0.198	6	117.6631	9.508	1700	117.6631	9.508	1700
643	371	899	0:SP2_SP-NON_SP2	C[6a]	N[6a]	C	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:C-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C){1|Cl<2>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1
643	371	900	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Cl	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(ClC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	Cl(C[6a]C[6a]N[6a])(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(ClC[6a]){1|C<1>,1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])(C[6a]N[6a]2)	115.5965	7.336	2	115.5965	53.820	2	115.5965	53.820	2	115.5965	53.820	2	114.0970	33.656	3	114.0970	33.656	3
643	371	900	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Cl	3:2:2:	3:2:	3:3:	C[6a]-3:N[6a]-2:Cl-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(ClC[6a])	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a])	Cl(C[6a]C[6a]N[6a])(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(ClC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6a]C[6a]N[6a])(C[6a]N[6a]2)	111.0980	0.000	1	111.0980	0.000	1	111.0980	0.000	1	111.0980	0.000	1	114.0970	33.656	3	114.0970	33.656	3
643	371	901	0:SP2_SP1_SP2	C[6a]	N[6a]	N	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:N-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])	117.6775	1.003	2	117.6775	1.007	2	117.6775	1.007	2	117.6775	1.007	2	117.6775	1.007	2	117.6775	1.007	2
643	371	908	0:SP2_SP2_SP2	C[6a]	N[6a]	Se	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:Se-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]Cl)	N[6a](C[6a]C[6a]Se)2	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]Cl){1|Se<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(Cl)	114.2750	0.000	1	114.2750	0.000	1	114.2750	0.000	1	114.2750	0.000	1	114.2750	0.000	1	114.2750	0.000	1
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:S-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SS)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	S(C[6a]N[6a]2)(SC[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(SS){2|C<3>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){2|C<3>}	S(C[6a]N[6a]2)(SC[6a])	120.0825	0.313	2	120.0825	0.098	2	120.0825	0.098	2	120.0825	0.098	2	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:2:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](N[6a]N[6a])2(SC[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	S(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]N[6a])2(SC[6a]){1|C<3>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|N<2>,1|O<2>}	S(C[6a]C[6a]2)(C[6a]N[6a]2)	117.1472	4.206	4	117.1472	17.686	4	117.1472	17.686	4	117.1472	17.686	4	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:2:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){2|C<3>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CCHH)	119.4160	0.000	1	119.4160	0.000	1	118.4682	6.769	5	118.4682	6.769	5	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:2:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	120.2530	0.000	1	118.2312	8.652	4	118.4682	6.769	5	118.4682	6.769	5	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:2:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){2|C<3>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	117.5573	3.202	3	118.2312	8.652	4	118.4682	6.769	5	118.4682	6.769	5	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(SC[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(SS){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|N<2>,3|C<3>}	S(C[6a]N[6a]2)(SC[6a])	112.3175	0.409	2	112.3175	0.168	2	115.2261	26.885	20	115.2261	26.885	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(SC[6a])	C[6a](N[6a]C[6a])2(SS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(SC[6a])	117.6710	5.885	3	116.3336	30.018	7	115.2261	26.885	20	115.2261	26.885	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(SC[6a])	C[6a](N[6a]C[6a])2(SS){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(SC[6a])	115.3305	5.815	4	116.3336	30.018	7	115.2261	26.885	20	115.2261	26.885	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(SC[6a])	C[6a](N[6a]C[6a])2(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(SC[6a])	116.0615	6.451	4	115.0870	34.200	7	115.2261	26.885	20	115.2261	26.885	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(SC[6a])	C[6a](N[6a]C[6a])2(SS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(SC[6a])	113.7877	5.978	3	115.0870	34.200	7	115.2261	26.885	20	115.2261	26.885	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(SC[6a])	C[6a](N[6a]C[6a])2(SS){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(SC[6a])	114.9857	5.758	4	114.9857	33.155	4	115.2261	26.885	20	115.2261	26.885	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CNO)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CNO)	116.1875	5.842	4	116.1875	34.126	4	116.3736	19.369	12	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6]C)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CC[6]C)	116.7615	4.002	2	116.7615	16.012	2	116.3736	19.369	12	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]C)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CC[6a]C)	116.3683	4.341	6	116.3683	18.847	6	116.3736	19.369	12	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(C[6a]N[6a]2)	115.6875	6.578	2	115.6875	43.273	2	116.4433	15.112	63	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	S(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(SC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(C[6a]N[6a]2)	120.9360	0.000	1	120.9360	0.000	1	116.4433	15.112	63	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(C[6a]N[6a]2)	120.7920	0.000	1	120.7920	0.000	1	116.4433	15.112	63	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)2	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)2	115.9313	1.045	6	115.9313	1.092	6	116.4433	15.112	63	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	S(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(C[6a]N[6a]2)	116.5542	4.909	4	115.4574	24.090	5	116.4433	15.112	63	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	S(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(SC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(C[6a]N[6a]2)	111.0700	0.000	1	115.4574	24.090	5	116.4433	15.112	63	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	S(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(C[6a]N[6a]2)	111.5140	0.000	1	111.5140	0.000	1	116.4433	15.112	63	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]N[6a]S)2	S(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(SC[6a]){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	S(C[6a]C[6a]2)(C[6a]N[6a]2)	116.6253	4.129	36	116.6253	17.045	36	116.4433	15.112	63	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]N[6a]S)2	S(C[6a]C[6a]N[6a])(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(SC[6a]){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	S(C[6a]C[6a]N[6a])(C[6a]N[6a]2)	116.1116	3.927	5	116.1116	15.423	5	116.4433	15.112	63	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]N[6a]S)2	S(C[6a]N[6a]2)2	C[6a](N[6a]C[6a])2(SC[6a]){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	S(C[6a]N[6a]2)2	116.5615	3.487	6	116.5615	12.161	6	116.4433	15.112	63	116.4322	15.541	75	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(SC)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S){1|C<3>,2|C<4>,2|H<1>}	S(C[6a]N[6a]2)(CC[6a]HH)	114.3865	0.295	2	114.3865	0.087	2	114.3865	0.087	2	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<3>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	119.1840	0.479	2	118.5476	6.431	28	118.4198	7.810	34	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<3>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	120.0786	0.446	5	118.5476	6.431	28	118.4198	7.810	34	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	117.3310	3.570	3	118.5476	6.431	28	118.4198	7.810	34	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	119.1910	1.785	12	118.5476	6.431	28	118.4198	7.810	34	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	115.7746	3.568	5	118.5476	6.431	28	118.4198	7.810	34	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	119.4140	0.000	1	118.5476	6.431	28	118.4198	7.810	34	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|O<2>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]S){3|C<3>}	S(C[6a]N[6a]2)(CH3)	113.9605	0.269	2	113.9605	0.073	2	118.4198	7.810	34	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CCHH)	119.7545	3.496	4	119.7545	12.219	4	118.4198	7.810	34	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|Cl<1>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	118.9720	0.000	1	120.4180	1.409	4	120.2076	1.278	5	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|F<1>,3|C<3>}	S(C[6a]N[6a]2)(CH3)	120.8960	0.000	1	120.4180	1.409	4	120.2076	1.278	5	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(CH3)	121.7500	0.000	1	120.4180	1.409	4	120.2076	1.278	5	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,1|N<3>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	120.0540	0.000	1	120.4180	1.409	4	120.2076	1.278	5	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S){3|C<3>}	S(C[6a]N[6a]2)(CH3)	119.3660	0.000	1	119.3660	0.000	1	120.2076	1.278	5	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]S){1|C<3>,1|C<4>}	S(C[6a]N[6a]2)(CC[6a]HH)	117.9390	0.313	2	117.9390	0.098	2	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)	112.2430	0.000	1	112.2430	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)	118.0520	0.000	1	118.0520	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S){2|C<3>,2|C<4>}	S(C[6a]N[6a]2)(CH3)	110.4085	0.719	2	111.9598	9.009	6	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S){2|C<3>,2|C<4>}	S(C[6a]N[6a]2)(CH3)	112.7355	3.527	4	111.9598	9.009	6	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)	114.2807	3.591	3	116.1932	13.312	5	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|O<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)	119.0620	0.133	2	116.1932	13.312	5	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)	110.3882	0.653	5	111.6259	3.238	17	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){1|C<3>,1|N<2>}	S(C[6a]N[6a]2)(CH3)	111.4290	0.000	1	111.6259	3.238	17	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)	112.2065	1.967	11	111.6259	3.238	17	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	N[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,3|C<3>}	S(C[6a]N[6a]2)(CCHH)	112.9102	3.266	4	112.9102	10.665	4	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,3|C<3>}	S(C[6a]N[6a]2)(CH3)	112.8900	0.000	1	112.8900	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)	111.7000	0.000	1	111.3217	0.439	3	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){1|C<3>,1|N<2>}	S(C[6a]N[6a]2)(CH3)	111.7080	0.000	1	111.3217	0.439	3	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)	110.5570	0.000	1	111.3217	0.439	3	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)	110.4980	0.000	1	110.4980	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CCHH)	113.5710	0.000	1	113.5710	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	113.0990	0.000	1	113.0990	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|H<1>,1|N<2>}	S(C[6a]N[6a]2)(CH3)	116.4115	4.488	2	116.4115	20.142	2	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|H<1>,1|N<2>}	S(C[6a]N[6a]2)(CH3)	112.9460	0.000	1	112.9460	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(CH3)	117.4673	3.156	4	117.4673	9.962	4	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CCHH)	120.2790	1.191	2	120.0503	0.562	8	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(CCHH)	119.9740	0.690	6	120.0503	0.562	8	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(CC[6a]HH)	115.1200	4.623	3	115.1200	21.375	3	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(CH3)	119.5860	0.000	1	119.5860	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CCHH)	115.9430	3.648	12	115.8379	13.981	18	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(SC){3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CCHH)	115.6278	4.264	6	115.8379	13.981	18	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[5]HH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CC[5]HH)	115.9315	6.462	2	115.9315	41.761	2	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>}	S(C[6a]N[6a]2)(CC[6a]HH)	119.3500	0.246	3	116.8582	7.481	6	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>}	S(C[6a]N[6a]2)(CC[6a]HH)	114.3663	0.123	3	116.8582	7.481	6	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	112.4070	0.000	1	112.4070	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CN[5a]CH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CN[5a]CH)	115.8850	5.299	2	115.8850	28.080	2	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(CCHH)	115.1970	4.559	2	115.1970	20.788	2	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(CH3)	113.0990	0.000	1	113.0990	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	112.4580	0.000	1	116.0765	12.941	21	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	114.4663	3.515	4	116.0765	12.941	21	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	116.6599	3.388	12	116.0765	12.941	21	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)	116.8413	4.677	4	116.0765	12.941	21	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CCHH)	116.4226	3.792	16	115.2008	13.998	26	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CCHH)	113.2459	2.832	10	115.2008	13.998	26	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CC[6a]HH)	116.4802	4.012	22	116.4936	16.317	25	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CC[6a]HH)	116.5923	5.171	3	116.4936	16.317	25	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	116.0626	3.637	5	115.6139	10.587	11	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	115.2400	3.197	6	115.6139	10.587	11	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CCHH)	115.5429	3.880	24	115.5429	15.051	24	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<2>,1|C<3>}	S(C[6a]N[6a]2)(CC[6a]HH)	111.4830	0.119	3	112.0100	1.120	4	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CC[6a]HH)	113.5910	0.000	1	112.0100	1.120	4	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	111.7750	0.000	1	116.0184	12.212	12	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	119.4820	0.000	1	116.0184	12.212	12	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	116.6545	3.976	2	116.0184	12.212	12	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|N<2>}	S(C[6a]N[6a]2)(CH3)	112.7885	0.168	2	116.0184	12.212	12	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|N<3>}	S(C[6a]N[6a]2)(CH3)	115.4665	4.851	2	116.0184	12.212	12	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	119.9070	0.000	1	116.0184	12.212	12	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	117.0793	3.477	3	116.0184	12.212	12	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CHHO)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CHHO)	115.5850	4.844	2	115.5850	23.461	2	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CHHS)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CHHS)	115.3850	3.072	2	115.3850	9.435	2	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S){1|C<3>,1|H<1>,2|N<2>}	S(C[6a]N[6a]2)(CH3)	116.7335	4.441	2	117.8395	8.238	4	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	118.9455	0.310	2	117.8395	8.238	4	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]S){1|C<3>,1|H<1>,2|C<4>}	S(C[6a]N[6a]2)(CH3)	118.4670	0.000	1	118.4670	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S){3|C<3>}	S(C[6a]N[6a]2)(CH3)	112.7360	0.000	1	112.7360	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CC[6a]HH)	118.7580	0.000	1	118.7580	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	122.0200	0.000	1	116.4902	9.678	22	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	112.5660	0.000	1	116.4902	9.678	22	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	115.0440	3.913	2	116.4902	9.678	22	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|N<2>}	S(C[6a]N[6a]2)(CH3)	118.9420	0.137	2	116.4902	9.678	22	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	116.2847	2.948	12	116.4902	9.678	22	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)	116.2027	3.124	4	116.4902	9.678	22	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<2>,1|C<3>}	S(C[6a]N[6a]2)(CC[6a]HH)	118.2910	0.475	3	117.3134	10.175	5	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CC[6a]HH)	115.8470	5.752	2	117.3134	10.175	5	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	116.0340	4.286	2	116.0340	18.374	2	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]S){1|C<3>}	S(C[6a]N[6a]2)(CH3)	119.7310	0.000	1	119.7310	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	S(C[6a]N[6a]2)(CH3)	120.4490	0.000	1	116.8645	25.697	2	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	S(C[6a]N[6a]2)(CH3)	113.2800	0.000	1	116.8645	25.697	2	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]S)2	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(SC){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	S(C[6a]N[6a]2)(CCHH)	116.4495	3.763	2	116.4495	14.157	2	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]S)2	S(C[6a]N[6a]2)(CC[6]HH)	C[6a](N[6a]C[6a])2(SC){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	S(C[6a]N[6a]2)(CC[6]HH)	117.4297	4.087	6	117.4297	16.706	6	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]S)2	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(SC){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	S(C[6a]N[6a]2)(CC[6a]HH)	116.8504	3.821	18	116.8504	14.599	18	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]S)2	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(SC){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	S(C[6a]N[6a]2)(CH3)	116.3720	4.868	2	116.3720	23.695	2	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(SC){1|S<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){1|N<2>,1|N<3>}	S(C[6a]N[6a]2)(CH3)	111.6310	0.000	1	111.6310	0.000	1	115.6833	13.638	289	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](N[6a]C[6a])2(SC[5])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(C[5]C[5]2H)	C[6a](N[6a]C[6a])2(SC[5]){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(C[5]C[5]2H)	115.9925	3.627	2	115.9925	13.153	2	115.9925	13.153	2	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](N[6a]C[6a])2(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(C[6]C[6]2H)	C[6a](N[6a]C[6a])2(SC[6]){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(C[6]C[6]2H)	115.9985	4.812	2	115.9985	23.154	2	115.9985	23.154	2	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	3:4:	N[6a]-2:N[6a]-2:S-2:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(SC)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(SC){1|S<2>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	119.0100	0.000	1	119.0100	0.000	1	119.0100	0.000	1	116.0345	13.645	335	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	4:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6]C[6]O[6]H)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(SC[6]){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6]C[6]O[6]H)(C[6a]N[6a]2)	116.0180	5.414	2	116.0180	29.307	2	116.0180	29.307	2	116.0180	29.307	2	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	6:3:	S-2:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S)	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S){1|C<3>}	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	111.4260	0.000	1	114.2933	21.706	3	116.5106	24.973	16	116.5106	24.973	16	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	6:3:	S-2:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S)	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S){1|C<3>}	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	115.7270	5.575	2	114.2933	21.706	3	116.5106	24.973	16	116.5106	24.973	16	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	6:3:	S-2:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	121.7010	0.000	1	118.0847	35.134	3	116.5106	24.973	16	116.5106	24.973	16	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	6:3:	S-2:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	116.2765	7.117	2	118.0847	35.134	3	116.5106	24.973	16	116.5106	24.973	16	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	6:3:	S-2:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	120.8687	0.391	3	120.8687	0.153	3	116.5106	24.973	16	116.5106	24.973	16	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	6:3:	S-2:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]S)2	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	118.6190	5.696	2	114.9184	27.284	7	116.5106	24.973	16	116.5106	24.973	16	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	6:3:	S-2:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]S)2	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	116.9140	7.244	2	114.9184	27.284	7	116.5106	24.973	16	116.5106	24.973	16	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:2:2:	3:3:	6:3:	S-2:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]S)2	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>,1|H<1>}	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	111.1210	0.290	3	114.9184	27.284	7	116.5106	24.973	16	116.5106	24.973	16	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:Cl-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(SCl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(Cl)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(SCl){1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S){1|S<2>,3|N<2>}	S(C[6a]C[6a]N[6a])(Cl)	122.0060	0.000	1	122.0060	0.000	1	122.0060	0.000	1	120.9955	2.042	2	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:S-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(SH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(SH){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S){1|H<1>,4|C<3>}	S(C[6a]C[6a]N[6a])(H)	119.9850	0.000	1	119.9850	0.000	1	119.9850	0.000	1	120.9955	2.042	2	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:S-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(SC[6a])	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(SC[6a]){1|O<1>,2|C<3>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]S){2|C<4>,3|C<3>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.0155	0.552	2	115.0155	0.305	2	115.0155	0.305	2	118.9321	7.073	8	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	S(C[6a]C[6a]N[6a])(C[6]C[6]2)	119.5470	0.160	2	119.5470	0.026	2	119.5470	0.026	2	118.9321	7.073	8	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SC[6a]){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.2910	0.000	1	119.2910	0.000	1	120.5830	2.281	4	118.9321	7.073	8	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|C<2>,1|H<1>,3|C<3>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	121.6720	0.000	1	120.4740	2.870	2	120.5830	2.281	4	118.9321	7.073	8	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.2760	0.000	1	120.4740	2.870	2	120.5830	2.281	4	118.9321	7.073	8	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(SC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(SC[6a]){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	122.0930	0.000	1	122.0930	0.000	1	120.5830	2.281	4	118.9321	7.073	8	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(SC){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S){1|C<4>,1|N<2>,3|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	118.8870	0.000	1	118.8870	0.000	1	119.6977	0.913	3	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(SC){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]S){1|H<1>,1|N<2>,3|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	120.7510	0.000	1	120.7510	0.000	1	119.6977	0.913	3	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(SC)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(SC){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S){1|H<1>,1|N<2>,2|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	119.4550	0.000	1	119.4550	0.000	1	119.6977	0.913	3	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(SC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|Br<1>,1|H<1>,3|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	119.9150	0.000	1	119.9150	0.000	1	119.1972	4.000	6	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(SC){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	115.2430	0.000	1	115.2430	0.000	1	119.1972	4.000	6	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(SC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S(C[6a]C[6a]N[6a])(CCHH)	120.3390	0.864	2	120.3390	0.747	2	119.1972	4.000	6	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:C[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[5]HH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(SC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S(C[6a]C[6a]N[6a])(CC[5]HH)	119.6735	0.203	2	119.6735	0.041	2	119.1972	4.000	6	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(CH3)	119.7040	0.000	1	119.2045	0.519	13	119.4847	2.142	16	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<2>,2|C<3>,2|C<4>}	S(C[6a]N[6a]2)(CH3)	119.0894	0.619	9	119.2045	0.519	13	119.4847	2.142	16	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){2|C<4>,3|C<3>}	S(C[6a]N[6a]2)(CH3)	119.3833	1.162	3	119.2045	0.519	13	119.4847	2.142	16	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	122.5390	0.375	2	122.5390	0.140	2	119.4847	2.142	16	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(SC)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(SC){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]S){1|S<4>,3|C<3>}	S(C[6a]N[6a]2)(CH3)	117.0180	0.000	1	117.0180	0.000	1	119.4847	2.142	16	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S){1|H<1>,2|C<3>,2|C<4>}	S(C[6a]N[6a]2)(CH3)	119.4090	0.000	1	119.4090	0.000	1	121.5488	1.695	5	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S){1|C<3>,2|C<4>,2|H<1>}	S(C[6a]N[6a]2)(CH3)	121.2330	0.000	1	122.0838	0.352	4	121.5488	1.695	5	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]S){1|C<4>,2|C<3>,2|H<1>}	S(C[6a]N[6a]2)(CH3)	122.3673	0.213	3	122.0838	0.352	4	121.5488	1.695	5	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(SC){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|C<4>,1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(CCHH)	119.5570	0.000	1	119.5570	0.000	1	121.2870	5.986	2	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	3:4:	N[6a]-2:N[6a]-3:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(CH3)	123.0170	0.000	1	123.0170	0.000	1	121.2870	5.986	2	119.8859	2.903	32	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	5:3:	S-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:	C[6a](SC[3x3,4,3x5,14x6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])	C[6a](SC[3x3,4,3x5,14x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]N[6a])	118.8277	1.402	3	118.8277	1.965	3	118.8277	1.965	3	118.8277	1.965	3	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	6:3:	S-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](SC[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])	C[6a](SC[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])	118.5990	0.000	1	118.5990	0.000	1	118.5990	0.000	1	122.0810	5.463	4	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	2:3:2:	3:3:	6:3:	S-2:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]S)2	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,1|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>,1|H<1>}	S(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]N[6a]2)	123.2417	0.333	3	123.2417	0.111	3	123.2417	0.111	3	122.0810	5.463	4	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SS)	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	S(C[6a]C[6a]N[6a])(SC[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]N[6a])(SC[6a])	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:2:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	S(C[6a]C[6a]N[6a])(CNN)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(SC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>}	S(C[6a]C[6a]N[6a])(CNN)	116.2290	2.341	2	116.2290	5.478	2	116.2290	5.478	2	116.2290	5.478	2	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:2:	3:4:	C[5,6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC)	N[6a](C[6a]C[5,6a]S)(N[6a]C[6a])	S(C[6a]C[5,6a]N[6a])(CH3)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC){4|C<3>}	N[6a](C[6a]C[5,6a]S)(N[6a]C[6a]){1|S<2>,2|C<3>}	S(C[6a]C[5,6a]N[6a])(CH3)	116.9300	1.803	3	116.9300	3.252	3	116.9300	3.252	3	119.2214	6.972	12	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:2:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]S)(N[6a]C[6a])	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]2)(N[6a]N[6a])(SC){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]S)(N[6a]C[6a]){1|S<3>,2|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	116.7397	0.814	3	116.7397	0.662	3	116.7397	0.662	3	119.2214	6.972	12	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:2:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]N[6a])(SC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]C)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,2|C<4>}	S(C[6a]N[6a]2)(CCHH)	121.4750	0.000	1	121.4750	0.000	1	121.6080	0.092	6	119.2214	6.972	12	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:2:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>}	S(C[6a]N[6a]2)(CCHH)	121.4260	0.069	2	121.4260	0.005	2	121.6080	0.092	6	119.2214	6.972	12	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:2:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	S(C[6a]N[6a]2)(CH3)	122.0890	0.000	1	121.7737	0.144	3	121.6080	0.092	6	119.2214	6.972	12	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:2:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>}	S(C[6a]N[6a]2)(CH3)	121.6160	0.372	2	121.7737	0.144	3	121.6080	0.092	6	119.2214	6.972	12	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(SC[6])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(SC[6])	116.3050	0.000	1	116.3050	0.000	1	113.7831	13.628	20	113.7831	13.628	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(SC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(SC[6a])	116.6330	0.000	1	116.6330	0.000	1	113.7831	13.628	20	113.7831	13.628	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(SC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(SC[6a])	110.0530	0.811	4	110.0530	0.657	4	113.7831	13.628	20	113.7831	13.628	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(SC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(SC[6a])	111.4130	0.124	2	111.4130	0.015	2	113.7831	13.628	20	113.7831	13.628	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(SC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]N[6a])(SC)	113.2050	0.000	1	113.2050	0.000	1	113.7831	13.628	20	113.7831	13.628	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(SC[5a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]N[6a])(SC[5a])	109.6530	0.000	1	109.6530	0.000	1	113.7831	13.628	20	113.7831	13.628	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(SC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(SC[6])	116.3470	0.000	1	116.3470	0.000	1	113.7831	13.628	20	113.7831	13.628	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(SC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]N[6a])(SC[6a])	116.4268	4.489	5	115.0797	18.787	7	113.7831	13.628	20	113.7831	13.628	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(SC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(SC[6a])	111.7120	0.607	2	115.0797	18.787	7	113.7831	13.628	20	113.7831	13.628	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(SC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]N[6a])(SC)	117.3080	0.000	1	117.3080	0.000	1	113.7831	13.628	20	113.7831	13.628	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(SC[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[6a]N[6a])(SC[6a])	117.6150	0.000	1	117.6150	0.000	1	113.7831	13.628	20	113.7831	13.628	20	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	S(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<2>}	S(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	122.0470	0.000	1	122.0470	0.000	1	122.3107	0.059	3	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	S(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a]){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<2>}	S(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	122.4425	0.115	2	122.4425	0.013	2	122.3107	0.059	3	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(SC[5a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	111.5790	0.000	1	111.5790	0.000	1	115.0383	29.596	3	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	112.2270	0.000	1	112.2270	0.000	1	115.0383	29.596	3	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[6a]S)2	S(C[5a]C[5a]S[5a])(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(SC[5a]){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]S)2{1|N<2>,2|C<2>}	S(C[5a]C[5a]S[5a])(C[6a]C[6a]N[6a])	121.3090	0.000	1	121.3090	0.000	1	115.0383	29.596	3	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:As-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SAs)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(AsCS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SAs){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(AsCS)	117.2747	1.068	4	117.2747	1.141	4	117.2747	1.141	4	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[5a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CC[5a]2)	117.8660	0.000	1	117.8660	0.000	1	112.6066	9.227	5	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[5a]C[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CC[5a]C[5])	111.2918	0.882	4	111.2918	0.777	4	112.6066	9.227	5	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5])	N[6a](C[6a]C[6a]S)2	S(C[6a]C[6a]N[6a])(C[5]N[5]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5]){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]S)2{1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(C[5]N[5]2)	118.7935	0.363	2	118.7935	0.132	2	118.7935	0.132	2	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[6a]S)2	S(C[6a]C[6a]N[6a])(C[5a]N[5a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5a]){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]S)2{1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(C[5a]N[5a]2)	119.5145	0.319	2	119.5145	0.102	2	120.3043	1.922	3	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(SC[5a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[5a]C[5a]2)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(SC[5a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|Cl<1>,1|H<1>,1|N<2>}	S(C[6a]C[6a]N[6a])(C[5a]C[5a]2)	121.8840	0.000	1	121.8840	0.000	1	120.3043	1.922	3	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	S(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	120.5390	0.000	1	120.5390	0.000	1	119.0198	7.860	4	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(SC[6]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,1|N<2>,1|N<3>}	S(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	114.8190	0.000	1	114.8190	0.000	1	119.0198	7.860	4	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6]){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|N<2>,1|S<2>}	S(C[6a]C[6a]N[6a])(C[6]C[6]2)	120.3605	0.176	2	120.3605	0.031	2	119.0198	7.860	4	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC[6a]){1|C<3>,2|N<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]S){1|C<2>,2|C<3>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.4710	0.000	1	120.4710	0.000	1	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(SC[6a]){1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){2|C<3>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.7290	0.000	1	116.7290	0.000	1	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(SC[6a]){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]S){1|Br<1>,1|C<3>,2|C<4>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.1965	0.373	4	119.1965	0.139	4	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	115.9040	2.019	2	117.1853	6.965	3	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.7480	0.000	1	117.1853	6.965	3	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<3>,2|C<2>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.0670	0.000	1	120.0670	0.000	1	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6a]){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<2>,1|C<3>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.2417	0.426	3	119.2417	0.181	3	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	121.5840	0.000	1	121.5840	0.000	1	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	111.8398	0.604	6	111.8398	0.365	6	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	113.0230	0.000	1	112.0283	0.811	3	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|N<2>,2|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	111.5310	0.372	2	112.0283	0.811	3	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]N[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	S(C[6a]C[6a]N[6a])(C[6a]N[6a]2)	116.3693	0.966	3	116.3693	0.933	3	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	S(C[6a]C[6a]N[6a])2	117.9020	5.054	2	117.9020	25.547	2	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(SC[6a]){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|N<2>,1|S<2>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	121.6528	0.762	5	121.6528	0.581	5	117.1278	14.667	33	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:3:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[6a]N[6a]2)	120.6890	0.000	1	120.6890	0.000	1	120.6890	0.000	1	117.3218	14.968	58	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	S(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){2|C<3>}	S(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	121.8720	0.000	1	121.8720	0.000	1	120.6774	4.071	29	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	S(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){2|C<3>}	S(C[6a]C[5a,6a]N[6a])(CH3)	122.2880	0.000	1	122.2880	0.000	1	120.6774	4.071	29	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	S(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){2|C<3>}	S(C[6a]C[5a,6a]N[6a])(CCHH)	111.3940	0.000	1	111.3940	0.000	1	120.6774	4.071	29	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	S(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){2|C<3>}	S(C[6a]C[5a,6a]N[6a])(CH3)	120.5047	0.430	16	120.5047	0.185	16	120.6774	4.071	29	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	S(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<2>}	S(C[6a]C[5a,6a]N[6a])(CCHH)	122.4092	0.188	5	122.4092	0.035	5	120.6774	4.071	29	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	S(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<2>}	S(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	121.3860	0.000	1	121.3860	0.000	1	120.6774	4.071	29	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	S(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<2>}	S(C[6a]C[5a,6a]N[6a])(CH3)	120.8930	0.000	1	120.8930	0.000	1	120.6774	4.071	29	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	S(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<2>}	S(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	118.9200	0.000	1	118.9200	0.000	1	120.6774	4.071	29	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	S(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){1|C<3>,1|N<2>}	S(C[6a]C[5a,6a]N[6a])(CH3)	120.7740	0.000	1	120.7740	0.000	1	120.6774	4.071	29	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	S(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(SC){1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){1|N<2>,1|N<3>}	S(C[6a]C[5a,6a]N[6a])(CH3)	121.9970	0.000	1	121.9970	0.000	1	120.6774	4.071	29	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)	S(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a])(SC){5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S){1|H<1>,4|C<3>}	S(C[6a]C[6a,6a]N[6a])(CH3)	114.0787	0.082	3	114.0787	0.007	3	114.0787	0.007	3	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)	S(C[6a]C[6a,6a]N[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,4|C<3>}	S(C[6a]C[6a,6a]N[6a])(CCHH)	118.7455	0.325	2	118.7455	0.105	2	118.9213	0.133	9	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)	S(C[6a]C[6a,6a]N[6a])(CC[6a]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,4|C<3>}	S(C[6a]C[6a,6a]N[6a])(CC[6a]CH)	118.9458	0.236	4	118.9458	0.055	4	118.9213	0.133	9	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2)	S(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,4|C<3>}	S(C[6a]C[6a,6a]N[6a])(CC[6a]HH)	118.3780	0.000	1	118.3780	0.000	1	118.9213	0.133	9	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C)	S(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C){2|C<3>}	S(C[6a]C[6a,6a]N[6a])(CH3)	119.5630	0.000	1	119.5630	0.000	1	118.9213	0.133	9	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]S)	S(C[6a]C[6a,6a]N[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]S){4|C<3>}	S(C[6a]C[6a,6a]N[6a])(CH3)	119.0770	0.000	1	119.0770	0.000	1	118.9213	0.133	9	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(SC){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	118.9607	0.240	3	118.9607	0.057	3	118.9607	0.057	3	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(SC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|C<4>}	S(C[6a]C[6a]N[6a])(CCHH)	119.3960	0.453	4	119.3960	0.205	4	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(CCHH)	111.4560	0.000	1	111.4560	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	S(C[6a]C[6a]N[6a])(CCHH)	119.3800	0.000	1	119.3800	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[5a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	S(C[6a]C[6a]N[6a])(CC[5a]HH)	119.6490	0.000	1	119.6490	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)	118.4580	0.000	1	119.0101	0.663	9	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)	119.0791	0.842	8	119.0101	0.663	9	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(CCHH)	117.0515	0.349	2	117.0515	0.122	2	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)	115.9402	0.692	5	115.9402	0.479	5	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	117.6330	1.221	3	117.6330	1.492	3	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	116.1600	0.000	1	117.3903	2.603	7	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(CH3)	119.0487	0.568	3	117.3903	2.603	7	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	116.5110	0.000	1	117.3903	2.603	7	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	115.9575	0.575	2	117.3903	2.603	7	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S){1|C<4>,3|C<3>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)	118.8923	0.224	3	118.3407	1.250	4	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S){4|C<3>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)	116.6860	0.000	1	118.3407	1.250	4	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]C)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]C){1|C<2>,1|C<3>,1|C<4>}	S(C[6a]C[6a]N[6a])(CH3)	118.3430	0.000	1	118.3430	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|C<3>,1|N<2>}	S(C[6a]C[6a]N[6a])(CH3)	118.7713	0.663	3	118.4230	0.779	4	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|C<3>,1|N<3>}	S(C[6a]C[6a]N[6a])(CH3)	117.3780	0.000	1	118.4230	0.779	4	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)2	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]S)2{1|C<2>,1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(CH3)	118.1450	0.000	1	118.1450	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[6]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|N<2>,2|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CC[6]HH)	119.6920	0.000	1	119.6920	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|H<1>,4|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	118.4570	0.000	1	118.4570	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CCHH)	119.1215	0.039	2	119.1215	0.002	2	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CCCH)	119.4590	0.000	1	119.4590	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]N[6a])(CCHH)	116.1320	0.000	1	117.7981	10.915	7	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CCHH)	118.0758	3.528	6	117.7981	10.915	7	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CCHP)	119.3520	0.000	1	119.3520	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CC[5]HH)	118.8180	1.042	3	118.8180	1.085	3	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[5a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CC[5a]HH)	111.8440	0.000	1	111.8440	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)	119.8451	0.697	11	119.8451	0.486	11	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CHHS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CHHS)	123.7720	0.000	1	123.7720	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H)	S(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H){1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)	115.3180	5.292	2	115.3180	28.005	2	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(CH3)	119.9030	0.000	1	119.9030	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	S(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|N<2>,2|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)	120.1480	0.745	2	120.1480	0.555	2	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]S)2	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]S)2{1|C<2>,1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(CH3)	118.5470	0.000	1	118.5470	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCCH)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|I<1>}	S(C[6a]C[6a]N[6a])(CCCH)	118.5560	0.000	1	118.5560	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]S){1|N<3>,1|O<2>,2|C<3>}	S(C[6a]C[6a]N[6a])(CH3)	116.3440	0.000	1	116.3440	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|H<1>,1|O<2>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)	120.4950	0.000	1	120.4950	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCHH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	S(C[6a]C[6a]N[6a])(CCHH)	120.7770	0.000	1	120.7770	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)	119.7860	0.000	1	119.7860	0.000	1	118.3932	4.645	83	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6]){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]S){1|C<2>,1|H<1>,3|C<3>}	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	119.1340	0.000	1	119.1340	0.000	1	117.0970	15.248	4	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6]){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	119.2120	0.000	1	119.0040	0.087	2	117.0970	15.248	4	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SC[6]){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|C<4>}	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	118.7960	0.000	1	119.0040	0.087	2	117.0970	15.248	4	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[6]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)	111.2460	0.000	1	111.2460	0.000	1	117.0970	15.248	4	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[5a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[6a](C[6a]N[5a,6a]S)(C[6a]C[6a]H)	S(C[6a]N[5a,6a]N[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	S(C[6a]N[5a,6a]N[6a])(CH3)	125.2430	0.000	1	125.2430	0.000	1	125.2430	0.000	1	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a,6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a](C[6a]N[6a,6a]S)(C[6a]C[6a]H)	S(C[6a]N[6a,6a]N[6a])(CH3)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a,6a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>}	S(C[6a]N[6a,6a]N[6a])(CH3)	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	119.2360	0.000	1	119.4607	0.563	7	120.5711	2.321	14	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]N[6a]2)(CH3)	119.6870	0.543	2	119.4607	0.563	7	120.5711	2.321	14	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|N<2>}	S(C[6a]N[6a]2)(CH3)	118.6690	0.410	2	119.4607	0.563	7	120.5711	2.321	14	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,2|C<4>}	S(C[6a]N[6a]2)(CH3)	120.6820	0.000	1	119.4607	0.563	7	120.5711	2.321	14	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<4>,2|C<3>}	S(C[6a]N[6a]2)(CH3)	119.5950	0.000	1	119.4607	0.563	7	120.5711	2.321	14	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]N[6a]2)(CCHH)	119.8750	0.000	1	119.8750	0.000	1	120.5711	2.321	14	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|O<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	S(C[6a]N[6a]2)(CCHH)	121.5500	0.000	1	121.5500	0.000	1	120.5711	2.321	14	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CCHH)	122.8510	0.000	1	122.6917	1.155	3	120.5711	2.321	14	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]N[6a]2)(CCHH)	122.6120	1.508	2	122.6917	1.155	3	120.5711	2.321	14	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]N[6a]2)(CC[6a]HH)	120.7630	0.000	1	120.7630	0.000	1	120.5711	2.321	14	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,2|H<1>}	S(C[6a]N[6a]2)(CH3)	121.5080	0.000	1	121.5080	0.000	1	120.5711	2.321	14	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	909	0:SP2_SP2_SP2	C[6a]	N[6a]	S	3:2:2:	3:3:	3:4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[5])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(C[5]C[5]2H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[5]){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	S(C[6a]N[6a]2)(C[5]C[5]2H)	121.0260	0.000	1	121.0260	0.000	1	121.0260	0.000	1	119.0315	5.777	148	117.0240	14.320	749	117.0240	14.320	749
643	371	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:2:2:	3:3:	3:3:	C[6,6a,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H)	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){2|H<1>,2|N<2>,2|N<3>}	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H){1|H<1>,3|C<3>}	119.1470	0.000	1	119.1470	0.000	1	119.1470	0.000	1	117.9057	8.286	12	117.9057	8.286	12	117.9057	8.286	12
643	371	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]N[6]){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1	117.9057	8.286	12	117.9057	8.286	12	117.9057	8.286	12
643	371	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O){1|C<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]){5|C<3>}	114.5890	0.000	1	114.5890	0.000	1	116.3710	3.892	3	117.9057	8.286	12	117.9057	8.286	12	117.9057	8.286	12
643	371	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(N[6]C[6]){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	118.4910	0.000	1	118.4910	0.000	1	116.3710	3.892	3	117.9057	8.286	12	117.9057	8.286	12	117.9057	8.286	12
643	371	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|C<3>,1|N<2>,2|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<2>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O){1|N<2>,2|C<3>}	116.0330	0.000	1	116.0330	0.000	1	116.3710	3.892	3	117.9057	8.286	12	117.9057	8.286	12	117.9057	8.286	12
643	371	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:2:2:	3:3:	3:3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(N[6]N[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(N[6]N[6]){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]O){1|N<2>,3|C<3>}	113.8245	0.217	2	113.8245	0.047	2	113.8245	0.047	2	117.9057	8.286	12	117.9057	8.286	12	117.9057	8.286	12
643	371	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:2:2:	3:3:	3:3:	N[6,6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6])	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N)	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N)	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6]){1|N<3>,5|N<2>}	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N){3|C<3>}	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N){1|H<1>,3|C<3>}	120.2710	0.000	1	120.3725	0.021	2	120.3725	0.021	2	117.9057	8.286	12	117.9057	8.286	12	117.9057	8.286	12
643	371	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:2:2:	3:3:	3:3:	N[6,6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6])	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N)	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N)	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6]){1|N<3>,5|N<2>}	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N){3|C<3>}	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N){3|C<3>}	120.4740	0.000	1	120.3725	0.021	2	120.3725	0.021	2	117.9057	8.286	12	117.9057	8.286	12	117.9057	8.286	12
643	371	914	0:SP2_SP2_SP2	C[6,6a]	N[6a]	N[6]	3:2:2:	3:3:	3:3:	N[6,6a,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|N<2>}	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O){3|C<3>}	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O){3|C<3>}	120.7873	0.199	3	120.7873	0.039	3	120.7873	0.039	3	117.9057	8.286	12	117.9057	8.286	12	117.9057	8.286	12
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SeC[6a])	N[6a](C[6a]N[6a]Se)(C[6a]N[6a]N)	Se(C[6a]N[6a]2)2	C[6a](N[6a]C[6a])2(SeC[6a]){1|Se<2>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Se)(C[6a]N[6a]N){1|C<3>}	Se(C[6a]N[6a]2)2	109.9552	0.755	6	109.9552	0.570	6	115.7297	36.801	12	115.7297	36.801	12	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SeC[6a])	N[6a](C[6a]N[6a]Se)2	Se(C[6a]N[6a]2)2	C[6a](N[6a]C[6a])2(SeC[6a]){1|Se<2>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Se)2{1|C<3>}	Se(C[6a]N[6a]2)2	121.5042	0.604	6	121.5042	0.364	6	115.7297	36.801	12	115.7297	36.801	12	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SeC[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SeC[6a]){1|Se<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se){1|H<1>,4|C<3>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	116.7060	0.000	1	116.7060	0.000	1	116.7060	0.000	1	116.7060	0.000	1	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:2:	C[6a,6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]2)	Se(C[6a]C[6a,6a]N[6a])(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SeSe){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]2){1|H<1>,4|C<3>}	Se(C[6a]C[6a,6a]N[6a])(SeC[6a])	117.5320	0.000	1	117.5320	0.000	1	117.5320	0.000	1	115.1161	17.988	17	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]N[6a])(SeC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeSe){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]N[6a])(SeC[6a])	116.6203	0.772	3	116.6203	0.596	3	114.9723	21.656	14	115.1161	17.988	17	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]N[6a])(SeC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6a]N[6a])(SeC[6a])	110.1465	1.286	2	111.4169	13.792	7	114.9723	21.656	14	115.1161	17.988	17	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]N[6a])(SeC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(SeC[6a])	114.5620	7.081	2	111.4169	13.792	7	114.9723	21.656	14	115.1161	17.988	17	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]N[6a])(SeC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(SeC[6a])	110.1670	1.276	3	111.4169	13.792	7	114.9723	21.656	14	115.1161	17.988	17	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeSe)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se)	Se(C[6a]C[6a]N[6a])(SeC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeSe){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se){1|O<2>,2|C<3>}	Se(C[6a]C[6a]N[6a])(SeC[6a])	119.9582	0.708	4	119.9582	0.502	4	114.9723	21.656	14	115.1161	17.988	17	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:2:	N[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(SeSe)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)	Se(C[6a]N[6a]2)(SeC[6a])	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(SeSe){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C){1|H<1>,2|C<3>}	Se(C[6a]N[6a]2)(SeC[6a])	114.9145	0.274	2	114.9145	0.075	2	114.9145	0.075	2	115.1161	17.988	17	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6a]N[6a])2	115.7375	0.189	2	115.7375	0.036	2	115.7390	13.261	16	115.7390	13.261	16	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]N)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a]){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]N){1|C<3>,2|C<2>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.8190	0.000	1	117.8190	0.000	1	115.7390	13.261	16	115.7390	13.261	16	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	122.4140	2.534	2	122.4140	6.423	2	115.7390	13.261	16	115.7390	13.261	16	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	114.7632	1.216	4	114.7632	1.479	4	115.7390	13.261	16	115.7390	13.261	16	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)2	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	111.9882	1.178	4	112.1888	1.241	5	115.7390	13.261	16	115.7390	13.261	16	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Se)2	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|Se<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	112.9910	0.000	1	112.1888	1.241	5	115.7390	13.261	16	115.7390	13.261	16	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeC[6a])	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se)	Se(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeC[6a]){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se){1|O<2>,2|C<3>}	Se(C[6a]C[6a]N[6a])2	118.8525	1.845	2	118.8525	3.403	2	115.7390	13.261	16	115.7390	13.261	16	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]N[6a])(CC[6a]HH)	114.9940	0.000	1	114.9940	0.000	1	117.5246	1.320	13	117.5246	1.320	13	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2	Se(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6a]N[6a])(CH3)	116.4655	0.122	2	116.4655	0.015	2	117.5246	1.320	13	117.5246	1.320	13	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]N[6a])(CSeHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(CSeHH)	117.2205	0.230	2	117.2205	0.053	2	117.5246	1.320	13	117.5246	1.320	13	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2	Se(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6a]N[6a])(CH3)	118.6425	0.688	2	118.1817	0.498	8	117.5246	1.320	13	117.5246	1.320	13	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2	Se(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(CH3)	117.9505	0.069	2	118.1817	0.498	8	117.5246	1.320	13	117.5246	1.320	13	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2	Se(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(CH3)	118.8370	0.154	2	118.1817	0.498	8	117.5246	1.320	13	117.5246	1.320	13	115.9674	16.436	59	115.9674	16.436	59
643	371	921	0:SP2_SP2_SP3	C[6a]	N[6a]	Se	3:2:2:	3:3:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	N[6a](C[6a]C[6a]Se)2	Se(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Se)2{1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(CH3)	117.2970	0.173	2	118.1817	0.498	8	117.5246	1.320	13	117.5246	1.320	13	115.9674	16.436	59	115.9674	16.436	59
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	2:2:1:	3:2:	3:	N[6a]-2:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](N[6a]N[6a])2(Br)	N[6a](C[6a]N[6a]Br)(N[6a]C[6a])	Br(C[6a]N[6a]2)	C[6a](N[6a]N[6a])2(Br){1|C<3>}	N[6a](C[6a]N[6a]Br)(N[6a]C[6a]){1|H<1>,1|N<2>}	Br(C[6a]N[6a]2)	116.1060	0.699	2	116.1060	0.488	2	116.1060	0.488	2	116.1060	0.488	2	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(Br)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]Br)	Br(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(Br){3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]Br){1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]N[6a]2)	114.6541	0.997	8	114.6541	0.995	8	114.6541	0.995	8	114.6541	0.995	8	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Br)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br){1|C<4>,1|H<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	114.9550	0.129	2	114.9550	0.017	2	114.9550	0.017	2	115.7432	0.318	12	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(Br)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]Br)(Br){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]N[6a])	115.9560	0.000	1	115.9560	0.000	1	115.5665	0.303	4	115.7432	0.318	12	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]N[6a])	115.7720	0.000	1	115.7720	0.000	1	115.5665	0.303	4	115.7432	0.318	12	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br){1|H<1>,1|S<4>,3|C<3>}	Br(C[6a]C[6a]N[6a])	114.7510	0.000	1	114.7510	0.000	1	115.5665	0.303	4	115.7432	0.318	12	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Br){1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]N[6a])	115.7870	0.000	1	115.7870	0.000	1	115.5665	0.303	4	115.7432	0.318	12	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br){1|H<1>,1|N<2>,3|C<3>}	Br(C[6a]C[6a]N[6a])	116.1220	0.270	3	116.1220	0.073	3	116.1237	0.067	6	115.7432	0.318	12	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	116.2660	0.000	1	116.1253	0.094	3	116.1237	0.067	6	115.7432	0.318	12	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:Br-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(Br){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	116.0550	0.397	2	116.1253	0.094	3	116.1237	0.067	6	115.7432	0.318	12	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[5,6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(Br)	N[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]N[6])	Br(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(Br){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]N[6]){1|C<3>,4|C<4>}	Br(C[6a]C[5,6a]N[6a])	117.2320	0.000	1	117.2320	0.000	1	117.2320	0.000	1	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:Br-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(Br)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br)	Br(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(Br){1|S<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]Br){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[5a,6a]N[6a])	114.4970	0.000	1	114.4970	0.000	1	114.4970	0.000	1	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[5a,6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Br)	N[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Br){1|H<1>,1|S<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[5a,6a]N[6a])	115.0300	0.000	1	115.0300	0.000	1	115.0300	0.000	1	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br){1|H<1>,2|C<3>}	Br(C[6a]C[6a]N[6a])	116.0830	0.000	1	116.0830	0.000	1	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]N[6a])	115.1260	0.000	1	114.9930	0.035	2	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]N[6a])	114.8600	0.000	1	114.9930	0.035	2	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(Br){1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]Br)2{1|H<1>,2|C<3>}	Br(C[6a]C[6a]N[6a])	114.5670	0.000	1	114.5670	0.000	1	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	115.8160	0.000	1	115.9906	0.313	5	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	Br(C[6a]C[6a]N[6a])	116.2165	0.832	2	115.9906	0.313	5	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){2|Br<1>,1|C<3>}	Br(C[6a]C[6a]N[6a])	115.8520	0.622	2	115.9906	0.313	5	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]N[6a])	114.1010	0.000	1	114.3424	1.216	5	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]N[6a])	114.4027	1.264	4	114.3424	1.216	5	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|Se<2>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Se){1|O<2>,2|C<3>}	Br(C[6a]C[6a]N[6a])	115.2198	1.458	6	115.2198	2.126	6	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)2{1|C<3>,2|C<4>}	Br(C[6a]C[6a]N[6a])	114.9673	0.185	4	114.9673	0.034	4	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a])(Br){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]N[6a])	115.4350	0.000	1	115.4350	0.000	1	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|I<1>}	Br(C[6a]C[6a]N[6a])	116.7375	0.750	2	116.7375	0.563	2	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|B<4>,1|C<3>,1|H<1>}	N[6a](C[6a]B[5,5]C[6a])(C[6a]C[6a]Br){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	Br(C[6a]C[6a]N[6a])	116.0390	0.000	1	116.0390	0.000	1	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	Br(C[6a]C[6a]N[6a])	116.2400	0.092	2	116.0677	0.093	3	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Br){1|C<3>,2|N<3>,3|H<1>}	Br(C[6a]C[6a]N[6a])	115.7230	0.000	1	116.0677	0.093	3	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Br(C[6a]C[6a]N[6a])	115.7840	0.000	1	115.9710	0.057	5	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]N[6a])	116.0800	0.262	3	115.9710	0.057	5	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]2){2|H<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	115.8310	0.000	1	115.9710	0.057	5	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	Br(C[6a]C[6a]N[6a])	115.3262	0.549	10	115.5331	0.374	23	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]N[6a])	116.5750	0.231	2	115.5331	0.374	23	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	Br(C[6a]C[6a]N[6a])	115.5318	0.535	11	115.5331	0.374	23	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]N[6a])	115.8280	0.000	1	115.8280	0.000	1	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	115.4853	0.051	3	115.7012	0.350	17	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	115.8990	0.000	1	115.7012	0.350	17	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[6a]N[6a])	116.2275	0.332	2	115.7012	0.350	17	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]N[6a])	115.1898	0.618	4	115.7012	0.350	17	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]N[6a])	115.5310	0.000	1	115.7012	0.350	17	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|H<1>}	Br(C[6a]C[6a]N[6a])	115.9045	1.273	2	115.7012	0.350	17	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>}	Br(C[6a]C[6a]N[6a])	116.0028	0.393	4	115.7012	0.350	17	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	Br(C[6a]C[6a]N[6a])	115.0570	0.866	5	115.0570	0.749	5	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|P<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]P){1|C<3>,2|H<1>}	Br(C[6a]C[6a]N[6a])	116.3360	0.000	1	116.3360	0.000	1	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Br)2{1|C<3>,2|H<1>}	Br(C[6a]C[6a]N[6a])	115.9310	0.254	4	115.7562	0.501	10	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)2{1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]N[6a])	114.5430	0.000	1	115.7562	0.501	10	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)2{1|H<1>,2|C<3>}	Br(C[6a]C[6a]N[6a])	116.0560	0.000	1	115.7562	0.501	10	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)2{1|C<3>,2|H<1>}	Br(C[6a]C[6a]N[6a])	115.8098	0.934	4	115.7562	0.501	10	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[4])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Br(C[6a]C[6a]N[6a])	115.8170	0.000	1	115.8170	0.000	1	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	Br(C[6a]C[6a]N[6a])	116.1170	0.000	1	116.2323	1.112	3	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<3>,2|H<1>,2|N<3>}	Br(C[6a]C[6a]N[6a])	117.3400	0.000	1	116.2323	1.112	3	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	115.2400	0.000	1	116.2323	1.112	3	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Br(C[6a]C[6a]N[6a])	115.9600	0.000	1	115.5312	0.293	14	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[6a]N[6a])	115.6174	0.450	8	115.5312	0.293	14	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]N[6a])	115.7900	0.000	1	115.5312	0.293	14	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|H<1>,1|N<3>,3|C<3>}	Br(C[6a]C[6a]N[6a])	115.9280	0.000	1	115.5312	0.293	14	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]N[6a])	114.1770	0.000	1	115.5312	0.293	14	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6a]C[6a]N[6a])	115.2990	0.000	1	115.5312	0.293	14	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	115.3440	0.000	1	115.5312	0.293	14	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	Br(C[6a]C[6a]N[6a])	115.4130	0.000	1	115.5427	0.021	4	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]N[6a])	115.6670	0.000	2	115.5427	0.021	4	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	Br(C[6a]C[6a]N[6a])	115.4240	0.000	1	115.5427	0.021	4	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br){1|N<2>,2|C<3>,2|H<1>}	Br(C[6a]C[6a]N[6a])	116.0220	0.000	1	116.0220	0.000	1	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|I<1>}	Br(C[6a]C[6a]N[6a])	115.7895	0.606	2	115.5442	0.230	6	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|I<1>}	Br(C[6a]C[6a]N[6a])	115.7365	0.299	2	115.5442	0.230	6	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|I<1>}	Br(C[6a]C[6a]N[6a])	115.1065	0.337	2	115.5442	0.230	6	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[6a]N[6a])	115.7785	0.042	2	115.7750	0.380	7	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6a]C[6a]N[6a])	115.7736	0.755	5	115.7750	0.380	7	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)2{1|C<3>,1|H<1>,1|N<4>}	Br(C[6a]C[6a]N[6a])	115.6350	0.000	1	115.6350	0.000	1	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>}	Br(C[6a]C[6a]N[6a])	116.4490	0.000	1	116.4490	0.000	1	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>}	Br(C[6a]C[6a]N[6a])	116.2000	0.000	1	116.2000	0.000	1	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]N[6a])	117.5965	0.056	2	117.7487	0.071	3	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|N<2>}	Br(C[6a]C[6a]N[6a])	118.0530	0.000	1	117.7487	0.071	3	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]N[6a])	117.6180	0.000	1	117.6180	0.000	1	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)2{1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]N[6a])	117.5950	0.405	5	117.5935	0.131	6	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)2{1|H<1>,2|N<2>}	Br(C[6a]C[6a]N[6a])	117.5860	0.000	1	117.5935	0.131	6	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)2{1|H<1>,1|N<2>,1|N<3>}	Br(C[6a]C[6a]N[6a])	117.3326	0.490	5	117.2608	0.223	6	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br)	N[6a](C[6a]C[6a]Br)2	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)2{1|H<1>,2|N<2>}	Br(C[6a]C[6a]N[6a])	116.9020	0.000	1	117.2608	0.223	6	115.7959	0.857	148	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	924	0:SP2_SP-NON_SP2	C[6a]	N[6a]	Br	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(Br)	N[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)	Br(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]O)(N[6a]N[6a])(Br){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Br)(N[6a]C[6a]C){1|N<2>,1|N<3>,1|O<1>}	Br(C[6a]C[6a]N[6a])	116.0607	0.440	3	116.0607	0.194	3	116.0607	0.194	3	115.7970	0.856	154	115.7449	0.869	176	115.7449	0.869	176
643	371	929	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	S[6a]	3:2:2:	3:3:	3:3:	C[3x6a]-3:N[6a]-2:S[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(S[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6a]2)	S[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(S[6a]C[6a]){6|C<3>}	N[6a](C[6a,6a]C[3x6a]S[6a])(C[6a]C[6a]2){6|C<3>}	S[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2){6|C<3>}	109.8310	0.000	1	109.8310	0.000	1	109.8310	0.000	1	112.4020	4.533	9	112.4020	4.533	9	112.4020	4.533	9
643	371	929	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	S[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]S[6a])2	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a]){1|C<4>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]S[6a])2{2|S<2>,3|C<3>}	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|S<2>,4|C<3>}	113.8540	0.952	2	114.4910	0.849	4	114.4910	0.849	4	112.4020	4.533	9	112.4020	4.533	9	112.4020	4.533	9
643	371	929	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	S[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]S[6a])2	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a]){1|H<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]S[6a])2{2|S<2>,3|C<3>}	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|S<2>,4|C<3>}	115.1280	0.133	2	114.4910	0.849	4	114.4910	0.849	4	112.4020	4.533	9	112.4020	4.533	9	112.4020	4.533	9
643	371	929	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	S[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[3])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	S[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[3]){2|C<4>,2|H<1>,3|C<3>}	110.8540	0.970	2	110.8540	0.941	2	110.8540	0.941	2	112.4020	4.533	9	112.4020	4.533	9	112.4020	4.533	9
643	371	929	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	S[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:S[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]C)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,5|C<3>}	111.4440	0.000	1	111.4440	0.000	1	111.0575	0.299	2	112.4020	4.533	9	112.4020	4.533	9	112.4020	4.533	9
643	371	929	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	S[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:S[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,5|C<3>}	110.6710	0.000	1	110.6710	0.000	1	111.0575	0.299	2	112.4020	4.533	9	112.4020	4.533	9	112.4020	4.533	9
643	371	929	6:SP2_SP2_SP2	C[6a]	N[6a]	S[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:S[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(S[6a]C[6a])(NCH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]S[6a]N)	S[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(S[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]S[6a]N){3|C<3>}	S[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	126.5490	0.000	1	126.5490	0.000	1	126.5490	0.000	1	126.7090	0.778	3	126.1533	1.075	6	126.1533	1.075	6
643	371	929	6:SP2_SP2_SP2	C[6a]	N[6a]	S[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:S[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])(S[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]O)(C[6a]S[6a]N)	S[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])(S[6a]C[6a])(NCN){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]S[6a]N){1|C<3>,1|H<1>}	S[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.6600	0.000	1	127.6600	0.000	1	126.7890	1.517	2	126.7090	0.778	3	126.1533	1.075	6	126.1533	1.075	6
643	371	929	6:SP2_SP2_SP2	C[6a]	N[6a]	S[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:S[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])(S[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]S[6a]N)	S[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])(S[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]S[6a]N){1|C<3>,1|H<1>}	S[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.9180	0.000	1	125.9180	0.000	1	126.7890	1.517	2	126.7090	0.778	3	126.1533	1.075	6	126.1533	1.075	6
643	371	929	6:SP2_SP2_SP2	C[6a]	N[6a]	S[6a]	2:4:2:	3:3:	3:3:	N[6a]-2:C[5]-4:S[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(S[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]S[6a]C[5])	S[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(S[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]S[6a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	S[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5]){1|Fe<10>,2|C<3>,2|C<4>}	126.7290	0.000	1	126.7290	0.000	1	126.7290	0.000	1	126.7290	0.000	1	126.1533	1.075	6	126.1533	1.075	6
643	371	929	6:SP2_SP2_SP2	C[6a]	N[6a]	S[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:S[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a])	N[6a](C[6a]C[6a]S[6a])(C[6a]C[6a]O)	S[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]S[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>}	S[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>}	125.0320	0.219	2	125.0320	0.048	2	125.0320	0.048	2	125.0320	0.048	2	126.1533	1.075	6	126.1533	1.075	6
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	2:3:	3:3:1:	N[6a]-2:N[6a]-2:C-3:	N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O){2|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]C){2|C<3>}	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:2:1:	N[6a]-2:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|O<2>,3|C<3>}	C(C[6a]N[6a]2)(OC)(O)	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	116.2935	4.968	6	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:2:1:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C){2|C<3>}	C(C[6a]N[6a]2)(OC)(O)	113.1630	0.000	1	113.1630	0.000	1	115.7566	4.049	5	116.2935	4.968	6	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:2:1:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a])2(COO)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a])2(COO){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C(C[6a]N[6a]2)(OC)(O)	115.8075	1.220	2	115.8075	1.488	2	115.7566	4.049	5	116.2935	4.968	6	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:2:1:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a])2(COO)	N[6a](C[6a]N[6a]C)2	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a])2(COO){1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	C(C[6a]N[6a]2)(OC)(O)	117.0025	2.207	2	117.0025	4.870	2	115.7566	4.049	5	116.2935	4.968	6	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	118.5800	0.000	1	118.5800	0.000	1	118.5800	0.000	1	118.5687	11.135	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(CCH)	N[6a](C[6a]N[6a]C)2	C(C[6a]N[6a]2)(CC[6a]H)(H)	C[6a](N[6a]C[6a])2(CCH){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	C(C[6a]N[6a]2)(CC[6a]H)(H)	116.9715	1.959	2	116.9715	3.839	2	116.9715	3.839	2	118.5687	11.135	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a])2(CC[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a])2(CC[6a]O){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	115.9025	2.372	2	115.9025	5.628	2	115.9025	5.628	2	118.5687	11.135	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a])2(CNO)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NHH)(O)	C[6a](N[6a]C[6a])2(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(NHH)(O)	116.3625	0.532	2	116.3625	0.284	2	116.3625	0.284	2	118.5687	11.135	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:1:	N[6a]-2:O[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C(C[6a]N[6a]O[6a])(CC[5a]H)(H)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]O[6a])(CC[5a]H)(H)	121.1780	0.000	1	121.1780	0.000	1	122.8780	2.850	3	118.5687	11.135	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:1:	N[6a]-2:O[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)	C(C[6a]N[6a]O[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C){1|H<1>,3|C<3>}	C(C[6a]N[6a]O[6a])(CC[6a]H)(H)	123.7280	1.168	2	123.7280	1.365	2	122.8780	2.850	3	118.5687	11.135	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:2:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](N[6a]C[6a])2(CNN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NHH)(NN)	C[6a](N[6a]C[6a])2(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(NHH)(NN)	116.9930	0.569	2	116.9930	0.323	2	117.0177	1.660	4	117.0177	1.660	4	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:2:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](N[6a]C[6a])2(CNN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NHH)(NO)	C[6a](N[6a]C[6a])2(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(NHH)(NO)	117.0425	2.157	2	117.0425	4.654	2	117.0177	1.660	4	117.0177	1.660	4	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CC[5a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[5a]C[5a]N[5a])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(CC[5a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]N[6a]2)	117.1640	0.528	2	117.1640	0.278	2	117.1640	0.278	2	117.1478	2.160	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-3:	C[6a](N[6a]C[6a])2(CCN)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]H)	C(C[6a]N[6a]2)(CNN)(NOO)	C[6a](N[6a]C[6a])2(CCN){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]H){1|C<3>}	C(C[6a]N[6a]2)(CNN)(NOO)	115.9740	0.000	1	115.9740	0.000	1	118.1175	9.189	2	117.1478	2.160	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-3:	C[6a](N[6a]C[6a])2(CCN)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C(C[6a]N[6a]2)(CNN)(NOO)	C[6a](N[6a]C[6a])2(CCN){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	C(C[6a]N[6a]2)(CNN)(NOO)	120.2610	0.000	1	120.2610	0.000	1	118.1175	9.189	2	117.1478	2.160	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a])2(CC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]2)	C[6a](N[6a]C[6a])2(CC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]2)	117.2650	1.134	2	117.2650	1.286	2	117.2650	1.286	2	117.1478	2.160	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-3:	C[6a](N[6a]C[6a])2(CNN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(NBH)(NHH)	C[6a](N[6a]C[6a])2(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(NBH)(NHH)	116.0445	0.142	2	116.0445	0.020	2	116.0445	0.020	2	117.1478	2.160	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:2:3:	3:3:	3:3:4:	N[6a]-2:O[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-4:	C[6a](N[6a]C[6a])(O[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]2)(C[6a]O[6a]C)	C(C[6a]N[6a]O[6a])(CC[6a]N)(CH3)	C[6a](N[6a]C[6a])(O[6a]C[6a])(CCC){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]O[6a]C){1|C<4>,3|C<3>}	C(C[6a]N[6a]O[6a])(CC[6a]N)(CH3)	125.4560	0.000	1	125.4560	0.000	1	125.4560	0.000	1	125.4560	0.000	1	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CHH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(H)2	117.3520	0.000	1	117.3520	0.000	1	117.3520	0.000	1	116.2200	2.512	13	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CHO)	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6,6,6a])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(H)(O)	115.1390	0.000	1	115.1390	0.000	1	115.1390	0.000	1	116.2200	2.512	13	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(H)(O)	114.2850	0.000	1	114.2850	0.000	1	114.6276	0.964	5	116.2200	2.512	13	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)(O)	114.1710	0.000	1	114.1870	0.192	3	114.6276	0.964	5	116.2200	2.512	13	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)(O)	114.1950	0.619	2	114.1870	0.192	3	114.6276	0.964	5	116.2200	2.512	13	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C(C[6a]C[6a]N[6a])(H)(O)	116.2920	0.000	1	116.2920	0.000	1	114.6276	0.964	5	116.2200	2.512	13	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(O)2	117.4970	0.212	2	117.4157	0.042	3	117.5385	0.146	6	116.2200	2.512	13	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(O)2	117.2530	0.000	1	117.4157	0.042	3	117.5385	0.146	6	116.2200	2.512	13	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C(C[6a]C[6a]N[6a])(O)2	118.1270	0.000	1	118.1270	0.000	1	117.5385	0.146	6	116.2200	2.512	13	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(O)2	117.4285	0.480	2	117.4285	0.231	2	117.5385	0.146	6	116.2200	2.512	13	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(COO)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|S<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.2810	0.000	1	116.2810	0.000	1	116.5300	0.124	2	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.7790	0.000	1	116.7790	0.000	1	116.5300	0.124	2	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ir<7>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NN)(H)	118.1380	0.000	1	118.1380	0.000	1	118.1380	0.000	1	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.8305	0.856	2	115.8305	0.733	2	117.3503	1.217	8	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,3|C<4>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.4330	0.308	2	117.9595	0.460	4	117.3503	1.217	8	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	118.1880	0.000	1	117.9595	0.460	4	117.3503	1.217	8	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	118.7840	0.000	1	117.9595	0.460	4	117.3503	1.217	8	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	117.4080	0.000	1	117.4080	0.000	1	117.3503	1.217	8	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|Ru<9>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	117.8950	0.000	1	117.8950	0.000	1	117.3503	1.217	8	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(NC[6])(H)	116.0480	0.000	1	116.0480	0.000	1	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC)(H)	116.3345	0.257	2	116.0177	0.334	3	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC)(H)	115.3840	0.000	1	116.0177	0.334	3	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[5a])(H)	115.3420	0.000	1	115.3420	0.000	1	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6])(H)	115.4400	0.707	2	115.4400	0.500	2	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	115.4595	0.049	2	115.4491	0.265	11	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	115.1060	0.028	2	115.4491	0.265	11	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	115.5441	0.625	7	115.4491	0.265	11	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NN)(H)	114.9660	0.000	1	115.7536	1.122	18	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NN)(H)	114.1750	0.000	1	115.7536	1.122	18	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NN)(H)	115.9015	1.020	16	115.7536	1.122	18	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NN[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NN[5])(H)	114.4630	0.000	1	114.4630	0.000	1	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	115.1115	0.449	4	115.1115	0.201	4	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC)(H)	116.7840	0.220	3	116.7840	0.048	3	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	116.6730	0.000	1	116.6730	0.000	1	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CHN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)	116.9935	0.578	2	116.9935	0.334	2	115.7393	0.783	47	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(O)	116.6130	0.000	1	117.1170	0.508	2	117.1170	0.508	2	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(O)	117.6210	0.000	1	117.1170	0.508	2	117.1170	0.508	2	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(COO){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	111.8990	0.000	1	111.8990	0.000	1	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	116.9500	2.202	2	116.9500	4.848	2	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|C<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	115.3600	0.000	1	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C(C[6a]C[6a]N[6a])(OC)(O)	115.3780	0.000	1	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.5180	0.000	1	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	118.1250	0.000	1	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|N<2>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.7840	0.000	1	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.1225	3.238	2	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.0245	1.494	10	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.2727	2.176	3	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	118.4850	0.000	1	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.8430	3.338	5	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|S<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.2157	0.699	4	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.3735	2.231	2	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|Se<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	118.0590	0.000	1	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.8030	0.000	1	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.5750	2.335	2	116.8276	3.436	36	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC[6])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC[6])(O)	117.1080	0.000	1	117.1080	0.000	1	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	116.1015	2.062	6	116.1015	4.253	6	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	114.9230	0.099	2	114.9230	0.010	2	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OZn)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OZn)(O)	117.5260	0.000	1	117.5260	0.000	1	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.3183	2.668	4	117.3183	7.118	4	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	112.2710	0.000	1	112.2710	0.000	1	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	115.1670	2.394	2	115.7548	3.811	4	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.3425	2.078	2	115.7548	3.811	4	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(COO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	114.4600	0.000	1	114.4600	0.000	1	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(COO){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	115.3415	0.302	2	115.3415	0.091	2	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	117.0185	0.337	2	117.0185	0.114	2	116.4512	3.906	63	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:C-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(COO)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(COO){1|C<3>,1|N<2>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<3>,3|N<2>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.0140	0.000	1	116.0140	0.000	1	116.0140	0.000	1	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:1:	N[6a]-2:N[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(OC)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]N[6a]2)(OC)(O)	116.2570	0.000	1	116.2570	0.000	1	116.2570	0.000	1	116.2614	2.557	125	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:4:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCN){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	115.2105	0.100	2	115.2105	0.010	2	115.8090	1.080	3	115.8090	1.080	3	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:2:4:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NN[5])(CH3)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN[5])(CH3)	117.0060	0.000	1	117.0060	0.000	1	115.8090	1.080	3	115.8090	1.080	3	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CC[6a]O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	113.2630	0.000	1	113.2630	0.000	1	116.2650	18.024	2	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	119.2670	0.000	1	119.2670	0.000	1	116.2650	18.024	2	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CNO){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(NCH)(O)	118.1600	0.000	1	118.1600	0.000	1	117.2540	1.642	2	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(CNO)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(CNO){2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|C<4>,2|N<2>,2|N<3>}	C(C[6a]C[6a]N[6a])(NHH)(O)	116.3480	0.000	1	116.3480	0.000	1	117.2540	1.642	2	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.9530	0.000	1	117.9530	0.000	1	117.9530	0.000	1	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNO){3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(NHH)(O)	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N-3:S-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNS)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[5]H)(S)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CNS){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5]H)(S)	115.8050	0.000	1	115.8050	0.000	1	115.8050	0.000	1	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CClC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCC)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CClC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCC)(Cl)	116.7550	0.000	1	116.7550	0.000	1	116.8077	0.438	3	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(Cl)	116.8340	0.933	2	116.8340	0.871	2	116.8077	0.438	3	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(H)	119.9290	0.000	1	119.9290	0.000	1	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.0220	0.000	1	117.0220	0.000	1	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	117.8775	1.102	2	117.8775	1.215	2	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(CCC)(H)	120.7510	0.000	1	120.7510	0.000	1	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.0774	1.451	21	117.0323	2.426	31	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	116.9376	1.842	10	117.0323	2.426	31	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	119.0845	0.528	2	119.0845	0.279	2	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	118.7510	0.000	1	118.7510	0.000	1	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.4490	0.000	1	117.4490	0.000	1	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[5]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[5]H)(H)	117.3150	0.256	2	117.3150	0.066	2	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	121.5220	0.000	1	121.5220	0.000	1	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CCN)(H)	122.4933	0.468	3	122.4933	0.219	3	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	121.3680	0.368	2	121.3680	0.135	2	117.9624	4.595	48	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	114.1905	0.378	2	114.1905	0.143	2	114.1905	0.143	2	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	114.0040	0.000	1	114.0040	0.000	1	116.3767	5.292	11	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	112.5550	0.000	2	112.5550	0.000	2	116.3767	5.292	11	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	117.7747	0.355	3	117.8040	0.088	4	116.3767	5.292	11	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	117.8920	0.000	1	117.8040	0.088	4	116.3767	5.292	11	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])2(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])2(O)	116.5785	0.449	2	116.5785	0.202	2	116.3767	5.292	11	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	119.2670	0.000	1	119.2670	0.000	1	116.3767	5.292	11	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	117.3900	0.000	1	117.3900	0.000	1	116.3767	5.292	11	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6]Ni)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(NC[6]Ni)(H)	111.0250	0.209	2	111.0250	0.044	2	111.5520	0.417	4	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6]Ni)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6]Ni)(H)	112.0790	0.310	2	112.0790	0.096	2	111.5520	0.417	4	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NCH)(O)	116.6023	1.581	3	116.6023	2.501	3	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	115.6455	0.221	2	115.6455	0.049	2	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	117.2930	0.000	1	118.1739	2.591	12	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	118.2540	1.663	11	118.1739	2.591	12	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(NCH)(O)	118.7230	1.332	3	117.5042	1.613	10	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NCH)(O)	116.9819	0.876	7	117.5042	1.613	10	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	117.3730	0.000	1	117.3730	0.000	1	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	117.2170	0.000	1	117.4028	1.268	10	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|F<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	117.4234	1.193	9	117.4028	1.268	10	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	117.2848	0.461	18	117.2331	0.481	30	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	116.3070	0.000	1	117.2331	0.481	30	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	119.6630	0.000	1	117.2331	0.481	30	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	116.9927	0.562	6	117.2331	0.481	30	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	116.9850	0.674	4	117.2331	0.481	30	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NHN)(O)	117.6050	0.000	1	117.6050	0.000	1	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NHO)(O)	116.2970	0.000	1	116.2970	0.000	1	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CNO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	116.0870	0.000	1	116.0870	0.000	1	117.3607	1.321	71	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	116.4115	0.383	2	116.4115	0.146	2	116.5985	0.361	4	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]S[5])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[5]O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]S[5])(O)	116.7855	0.893	2	116.7855	0.798	2	116.5985	0.361	4	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	117.0250	3.632	2	117.0250	13.189	2	117.7333	8.100	3	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N[6]C[6]N[6])(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN[6]O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(N[6]C[6]N[6])(O)	119.1500	0.000	1	119.1500	0.000	1	117.7333	8.100	3	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CC[6a]O)	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	N[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	117.6137	1.035	3	117.6137	1.071	3	117.6137	1.071	3	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	120.7070	0.000	1	120.7070	0.000	1	120.7070	0.000	1	117.2675	3.877	157	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]C){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CN)	118.9290	0.000	1	118.9290	0.000	1	118.9290	0.000	1	119.5793	2.120	3	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:2:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CNN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NHH)(NN)	118.5620	0.000	1	118.5620	0.000	1	118.5620	0.000	1	119.5793	2.120	3	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:2:	N[6a]-2:N[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[5]C[5]N[5])(C[6a]N[6a]2)(CN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){2|H<1>,3|C<3>}	C(C[5]C[5]N[5])(C[6a]N[6a]2)(CN)	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	119.5793	2.120	3	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5a]2){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	116.5740	0.711	2	116.5740	0.506	2	116.5740	0.506	2	117.5661	5.289	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]2)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]2)(CC[6a]O)	115.5630	0.000	1	115.5630	0.000	1	116.8630	3.380	2	117.5661	5.289	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CHN)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CHN)(CHO)	118.1630	0.000	1	118.1630	0.000	1	116.8630	3.380	2	117.5661	5.289	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]H)	115.5070	0.000	1	115.5070	0.000	1	118.0710	18.791	3	117.5661	5.289	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]O)	115.6300	0.000	1	115.6300	0.000	1	118.0710	18.791	3	117.5661	5.289	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CC[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CC[6a]C){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	123.0760	0.000	1	123.0760	0.000	1	118.0710	18.791	3	117.5661	5.289	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	119.0520	0.000	1	118.2830	1.183	2	118.2830	1.183	2	117.5661	5.289	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	117.5140	0.000	1	118.2830	1.183	2	118.2830	1.183	2	117.5661	5.289	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CHH)	118.0080	0.000	1	118.0080	0.000	1	118.0080	0.000	1	117.5661	5.289	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCO)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(O)	116.7720	0.000	1	116.7720	0.000	1	116.7720	0.000	1	116.5045	1.868	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC3)(O)	117.9670	0.000	1	117.9670	0.000	1	116.4663	2.166	7	116.5045	1.868	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C(C[6a]C[6a]N[6a])(CH3)(O)	115.5380	0.000	1	115.5380	0.000	1	116.4663	2.166	7	116.5045	1.868	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CCO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]HO)(O)	115.2880	0.000	1	115.2880	0.000	1	116.4663	2.166	7	116.5045	1.868	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(O)	118.9000	0.000	1	118.9000	0.000	1	116.4663	2.166	7	116.5045	1.868	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCO){1|C<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CH3)(O)	115.8570	0.853	3	115.8570	0.727	3	116.4663	2.166	7	116.5045	1.868	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:4:2:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C(C[6a]C[6a]N[6a])(CH3)(NN)	113.9075	0.769	2	113.9075	0.591	2	115.0777	4.403	3	115.0777	4.403	3	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:4:2:	N[6a]-2:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CCHH)(NN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CCN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(NN)	117.4180	0.000	1	117.4180	0.000	1	115.0777	4.403	3	115.0777	4.403	3	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	2:3:3:	3:3:	3:4:3:	N[6a]-2:N[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CCHH)(CHN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C){1|C<4>,3|C<3>}	C(C[6a]N[6a]2)(CCHH)(CHN)	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:3:3:	C-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a](CC[5a]C[5])(N[6a]C[6a])2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]N[6a]2)	C[6a](CC[5a]C[5])(N[6a]C[6a])2{1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]N[6a]2)	116.9564	0.513	8	116.9564	0.263	8	116.9564	0.263	8	116.9564	0.263	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:2:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(O)2	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:2:	3:2:1:	C[5,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO){4|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){3|C<3>}	C(C[6a]C[5,6a]N[6a])(OC)(O)	112.5468	1.146	5	112.5468	1.314	5	112.5468	1.314	5	113.9850	2.689	14	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHN)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	114.1930	0.380	2	114.1930	0.145	2	114.1930	0.145	2	113.9850	2.689	14	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.9230	0.000	1	114.9230	0.000	1	114.9529	2.096	7	113.9850	2.689	14	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.0057	2.074	3	115.0057	4.300	3	114.9529	2.096	7	113.9850	2.689	14	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.6430	1.879	2	114.9100	1.980	3	114.9529	2.096	7	113.9850	2.689	14	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]C)(N[6a]N[6a])(COO){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	115.4440	0.000	1	114.9100	1.980	3	114.9529	2.096	7	113.9850	2.689	14	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:2:	3:3:1:	C[5,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N-3:O-1:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO)	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a])	C(C[6a]C[5,6a]N[6a])(NHH)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO){4|C<3>}	N[6a](C[6a]C[5,6a]C)(N[6a]C[6a]){3|C<3>}	C(C[6a]C[5,6a]N[6a])(NHH)(O)	113.4520	0.777	4	113.4520	0.604	4	113.4520	0.604	4	113.5274	0.944	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:2:	3:3:1:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]O)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]){3|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	114.4020	0.000	1	114.4020	0.000	1	114.4020	0.000	1	113.5274	0.944	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	113.2445	1.962	2	113.2445	3.850	2	113.2445	3.850	2	113.5274	0.944	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CNO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]N[6a])(CNO){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	113.5200	0.000	1	113.5200	0.000	1	113.5200	0.000	1	113.5274	0.944	8	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:2:	3:4:1:	C[6,6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(CCO)	N[6a](C[6a]C[6,6a]C)(N[6a]C[6a])	C(C[6a]C[6,6a]N[6a])(CH3)(O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(CCO){1|C<4>,1|O<1>,2|C<3>}	N[6a](C[6a]C[6,6a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	C(C[6a]C[6,6a]N[6a])(CH3)(O)	113.1180	0.000	1	113.1180	0.000	1	113.1180	0.000	1	113.1180	0.000	1	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CHH){1|Co<6>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(H)2	117.9620	0.000	1	117.9620	0.000	1	117.9620	0.000	1	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6,6,6a]H)(N[6a]C[6a])(CHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)(O)	114.2270	0.000	1	114.2270	0.000	1	114.8168	0.233	9	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)(O)	114.6050	0.000	1	114.6050	0.000	1	114.8168	0.233	9	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(H)(O)	114.8750	0.403	2	114.8750	0.162	2	114.8168	0.233	9	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)(O)	114.7500	0.000	1	114.7500	0.000	1	114.8168	0.233	9	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)(O)	115.1320	0.000	1	115.3077	0.027	3	114.8168	0.233	9	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(H)(O)	115.3955	0.083	2	115.3077	0.027	3	114.8168	0.233	9	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(H)(O)	114.0960	0.000	1	114.0960	0.000	1	114.8168	0.233	9	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(O)2	113.5538	2.773	5	113.5538	7.690	5	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]N[6a])(O)2	115.5310	0.000	1	115.5310	0.000	1	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(O)2	117.3330	0.000	1	117.3330	0.000	1	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(O)2	116.2531	0.566	9	116.4133	0.458	12	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(O)2	116.8937	0.878	3	116.4133	0.458	12	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(O)2	115.7310	0.550	4	117.3698	3.648	34	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(O)2	117.7829	1.884	27	117.3698	3.648	34	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(O)2	115.8370	1.541	3	117.3698	3.648	34	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(O)2	117.4870	0.099	2	117.4870	0.010	2	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(O)2	116.8050	0.259	8	116.8050	0.067	8	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(O)2	117.4960	0.000	1	117.4960	0.000	1	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(O)2	114.8926	2.308	9	114.8926	5.325	9	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(O)2	115.5417	1.758	3	115.5417	3.091	3	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(O)2	112.7520	0.000	1	112.7520	0.000	1	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO){1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(O)2	116.4650	0.000	1	116.4650	0.000	1	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(O)2	118.6540	0.000	1	118.0168	1.270	12	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(O)2	117.9589	1.163	11	118.0168	1.270	12	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(O)2	116.0290	0.099	2	116.0290	0.010	2	116.6653	3.951	92	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(H)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]N[6a])(H)(O)	114.0740	0.000	1	114.0740	0.000	1	114.0740	0.000	1	116.4912	3.896	103	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[5,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO){1|H<1>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]N[6a])(OC)(O)	113.3030	0.000	1	113.6640	0.261	2	113.6640	0.261	2	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[5,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]N[6a])(OC)(O)	114.0250	0.000	1	113.6640	0.261	2	113.6640	0.261	2	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[5,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO){1|H<1>,4|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H){3|C<3>}	C(C[6a]C[5,6a]N[6a])(OC)(O)	114.7860	0.000	1	114.7860	0.000	1	114.7860	0.000	1	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6,6a]C)(C[6a]N[6a]Cl)	C(C[6a]C[6,6a]N[6a])(OC)(O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(COO){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[6,6a]C)(C[6a]N[6a]Cl){1|C<3>,1|C<4>}	C(C[6a]C[6,6a]N[6a])(OC)(O)	115.5550	0.000	1	115.5550	0.000	1	115.5550	0.000	1	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]N[6a])(NC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(NC)(O)	110.9750	0.000	1	110.9750	0.000	1	110.9750	0.000	1	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]N[6a])(OH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(OH)(O)	115.0130	0.229	3	115.0130	0.053	3	115.0130	0.053	3	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(COO)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5a,6a])(COO){1|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	112.8610	0.000	1	112.8610	0.000	1	112.8610	0.000	1	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(COO)	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(COO){5|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C){1|O<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a,6a])(COO){3|C<3>}	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.5050	0.000	1	117.5050	0.000	1	117.3022	0.381	5	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a,6a])(COO){3|C<3>}	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.4720	0.066	2	117.4720	0.004	2	117.3022	0.381	5	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a])(COO){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.8290	0.000	1	117.8290	0.000	1	117.3022	0.381	5	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(COO){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.2330	0.000	1	116.2330	0.000	1	117.3022	0.381	5	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH)(H)	112.4250	0.000	1	112.4250	0.000	1	112.4250	0.000	1	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:Cl-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(Cl)	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NO)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(CHN){1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(NO)(H)	115.6745	0.022	2	115.6745	0.000	2	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6])(H)	115.6540	0.000	1	115.6540	0.000	1	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)	116.6630	0.000	1	116.6630	0.000	1	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)	118.9380	0.379	2	118.9380	0.144	2	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	115.0725	0.134	2	115.2846	0.141	5	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	115.4260	0.446	3	115.2846	0.141	5	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	116.1375	0.578	2	116.1375	0.334	2	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)	115.9380	0.000	1	115.9380	0.000	1	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F)	C(C[6a]C[6a]N[6a])(NO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]F){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NO)(H)	114.6950	0.000	1	114.6950	0.000	1	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC)(H)	115.1448	0.377	8	115.1448	0.142	8	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5])(H)	115.4470	0.225	2	115.4470	0.051	2	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5a])(H)	114.2210	0.000	1	114.2210	0.000	1	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6])(H)	115.2902	0.635	5	115.2902	0.404	5	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	115.1151	0.600	16	115.1151	0.361	16	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)	115.2520	0.000	1	115.7200	2.695	80	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)	115.6120	0.000	1	115.7200	2.695	80	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)	116.6448	2.379	5	115.7200	2.695	80	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)	115.6645	1.605	73	115.7200	2.695	80	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN[5])(H)	114.2120	0.000	1	114.2120	0.000	1	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN[5a])(H)	113.2510	0.000	1	113.2510	0.000	1	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	113.7630	0.000	1	113.7630	0.000	1	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6])(H)	114.5570	0.000	1	114.5570	0.000	1	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	114.9138	1.074	4	114.9138	1.153	4	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC)(H)	115.1105	0.914	4	115.1105	0.835	4	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5])(H)	114.3259	0.634	8	114.3259	0.402	8	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[5a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5a])(H)	116.1900	0.096	2	116.1900	0.009	2	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6])(H)	114.2961	0.828	8	114.2961	0.686	8	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(H)	116.1040	1.828	4	116.1040	3.340	4	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)	114.6813	0.751	3	115.5347	2.956	14	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)	115.6744	1.649	5	115.5347	2.956	14	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)	115.8450	2.170	6	115.5347	2.956	14	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN)(H)	115.3730	0.000	1	115.3730	0.000	1	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CHN){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NN)(H)	114.6870	0.086	2	114.6870	0.007	2	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CHN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(NN)(H)	112.8255	0.288	2	112.8255	0.083	2	115.4032	2.077	180	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC)(O)	117.2878	0.565	4	117.2878	0.320	4	117.0584	0.356	31	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6])(O)	115.8770	0.000	1	115.8770	0.000	1	117.0584	0.356	31	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NH)(O)	116.3530	0.000	1	116.3530	0.000	1	117.0584	0.356	31	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN)(O)	116.4520	0.000	1	116.4520	0.000	1	117.0584	0.356	31	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(O)	117.6310	0.000	1	117.6310	0.000	1	117.0584	0.356	31	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC)(O)	117.1285	0.484	17	117.1285	0.234	17	117.0584	0.356	31	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(O)	117.6990	0.000	1	117.6990	0.000	1	117.0584	0.356	31	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN)(O)	117.4595	0.480	2	117.4595	0.231	2	117.0584	0.356	31	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(NC)(O)	116.1780	0.000	1	116.1780	0.000	1	117.0584	0.356	31	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NH)(O)	115.9550	0.000	1	115.9550	0.000	1	117.0584	0.356	31	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|N<2>,2|N<3>}	C(C[6a]C[6a]N[6a])(NC)(O)	117.4090	0.000	1	117.4090	0.000	1	117.0584	0.356	31	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.8920	0.000	1	115.6350	1.104	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.3780	0.000	1	115.6350	1.104	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	111.2650	0.985	3	111.2650	0.971	3	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.0210	0.959	2	117.0210	0.919	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	118.6430	0.000	1	116.4610	9.522	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.2790	0.000	1	116.4610	9.522	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.7530	0.000	1	114.7530	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.8103	1.919	6	116.8103	3.684	6	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	115.3510	0.000	1	115.3510	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	113.8950	0.000	1	113.8950	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(COO){5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){5|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.5190	0.000	1	114.5190	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.4960	0.000	1	116.4960	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C[5,6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.4120	2.294	2	116.4120	5.262	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]C){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.0950	0.000	1	114.0950	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(COO){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	113.6100	0.000	1	113.6100	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	113.3195	4.577	2	113.3195	20.950	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	112.3550	0.000	2	112.3550	0.000	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.2580	0.000	1	114.2580	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.0050	0.335	2	115.0050	0.112	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.7910	0.000	1	117.4600	6.423	5	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	118.1273	2.366	4	117.4600	6.423	5	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.6890	0.000	1	115.1135	0.662	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	114.5380	0.000	1	115.1135	0.662	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.0577	1.992	9	117.0577	3.969	9	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6])(O)	118.0670	0.000	1	118.0670	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	117.2476	1.919	5	117.2476	3.681	5	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	114.4730	0.000	1	116.2878	2.764	5	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.4830	0.000	1	116.2878	2.764	5	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.4230	0.000	1	116.2878	2.764	5	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	118.0300	0.546	2	116.2878	2.764	5	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OSb)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(OSb)(O)	117.8370	0.000	1	117.8370	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.7560	0.000	1	116.3723	4.844	6	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.4770	2.590	4	116.3723	4.844	6	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.5700	0.000	1	116.3723	4.844	6	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	115.3190	0.000	1	115.3190	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	118.7360	0.000	1	118.7360	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	118.2675	0.339	2	118.2120	0.067	3	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	118.1010	0.000	1	118.2120	0.067	3	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	118.5578	0.391	6	117.3479	3.330	76	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	115.5470	0.000	1	117.3479	3.330	76	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.1008	1.872	4	117.3479	3.330	76	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	118.0920	0.000	1	117.3479	3.330	76	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.2177	1.983	49	117.3479	3.330	76	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|I<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	118.4077	1.173	4	117.3479	3.330	76	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.4320	1.460	11	117.3479	3.330	76	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6])(O)	119.4280	0.614	4	119.4280	0.377	4	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	114.1790	0.157	2	114.1790	0.025	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OGa)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OGa)(O)	113.5282	0.538	6	113.5282	0.289	6	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.3805	0.792	13	116.2481	2.353	75	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	117.7485	1.109	4	116.2481	2.353	75	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	116.3581	1.542	55	116.2481	2.353	75	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	113.7450	0.000	1	116.2481	2.353	75	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	117.1130	2.681	2	116.2481	2.353	75	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.4710	0.000	1	115.4710	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.0460	0.000	1	114.0460	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	113.4610	0.000	1	113.4610	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	114.5660	0.000	1	114.5660	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(COO){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.3730	0.000	1	115.3730	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|O<2>}	C(C[6a]C[6a]N[6a])(OC)(O)	118.7175	0.298	2	117.4707	2.798	6	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.6135	2.939	2	117.4707	2.798	6	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(COO){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.0810	0.614	2	117.4707	2.798	6	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	116.1907	2.338	3	116.1907	5.467	3	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.2220	0.000	1	115.2220	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(OH)(O)	118.3271	0.662	9	116.7685	5.895	20	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.2926	2.673	10	116.7685	5.895	20	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	117.5000	0.000	1	116.7685	5.895	20	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	115.7330	3.231	2	115.7330	10.442	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(OH)(O)	116.4850	1.992	5	116.0977	1.962	22	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.8237	0.581	9	116.0977	1.962	22	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(OH)(O)	115.3520	0.000	1	116.0977	1.962	22	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	116.2799	1.844	7	116.0977	1.962	22	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO){1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	116.6020	0.000	1	116.6020	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(OC)(O)	117.2130	3.397	2	118.0747	5.054	4	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(OC)(O)	119.5070	0.000	1	118.0747	5.054	4	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC)(O)	118.3660	0.000	1	118.0747	5.054	4	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	118.6295	1.949	4	118.6295	3.797	4	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(OH)(O)	117.5433	0.467	3	117.3451	1.271	7	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(OH)(O)	117.1965	1.526	4	117.3451	1.271	7	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OIn[4])(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(OIn[4])(O)	117.2327	1.272	3	117.2327	1.618	3	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(OC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(OC)(O)	115.8850	0.578	2	115.8850	0.335	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COO){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(OH)(O)	118.1210	0.000	1	118.1210	0.000	1	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(OH)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(OH)(O)	117.7505	0.105	2	117.7505	0.011	2	116.5643	4.012	316	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(SC)(O)	118.0450	0.000	1	118.0450	0.000	1	118.0450	0.000	1	116.1663	3.519	545	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CN)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|C<4>,3|C<3>}	C(C[6a]C[6a]N[6a])(CN)2	115.4356	0.560	7	115.4356	0.314	7	115.8661	1.752	8	115.9457	1.482	12	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CN)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|C<4>}	C(C[6a]C[6a]N[6a])(CN)2	118.8800	0.000	1	118.8800	0.000	1	115.8661	1.752	8	115.9457	1.482	12	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CN)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CN)(NN)	116.3630	1.172	2	116.3630	1.374	2	116.3630	1.374	2	115.9457	1.482	12	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC)(OC)	114.7880	0.000	1	114.7880	0.000	1	114.7880	0.000	1	115.9457	1.482	12	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(OCo)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OCo)2	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	115.9457	1.482	12	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	116.2110	0.000	1	116.2110	0.000	1	116.6243	1.110	3	116.6243	1.110	3	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(NHH)	115.8400	0.000	1	115.8400	0.000	1	116.6243	1.110	3	116.6243	1.110	3	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:N-3:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	117.8220	0.000	1	117.8220	0.000	1	116.6243	1.110	3	116.6243	1.110	3	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	115.7345	0.846	2	115.7345	0.716	2	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	115.8125	0.602	2	116.5358	0.602	5	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	117.0180	0.389	3	116.5358	0.602	5	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	117.1000	0.000	1	117.1000	0.000	1	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6])(CH3)	116.9050	0.000	1	116.9050	0.000	1	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	117.4100	0.000	1	117.4100	0.000	1	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	116.7400	0.000	1	116.7400	0.000	1	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	116.6070	0.000	1	116.6070	0.000	1	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN[6a])(CH3)	115.5580	0.000	1	115.5580	0.000	1	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CC3)	116.0115	0.722	2	116.0115	0.521	2	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CCHH)	116.5497	0.854	3	116.5497	0.729	3	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a])(CF3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CF3)	115.9370	0.000	1	115.9370	0.000	1	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	116.6030	0.479	3	116.4145	0.295	42	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	116.2860	0.460	2	116.4145	0.295	42	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	116.3339	0.476	35	116.4145	0.295	42	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	117.6725	0.402	2	116.4145	0.295	42	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:2:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(NC[6a])(CH3)	117.3280	0.000	1	117.3280	0.000	1	116.4325	0.364	62	116.4325	0.364	62	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[5,6,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6,6a]C)	C(C[6a]C[5,6,6a]N[6a])(NCH)(O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO){1|H<1>,2|C<3>,3|C<4>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6,6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6,6a]N[6a])(NCH)(O)	116.3390	0.000	1	116.3390	0.000	1	116.3390	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]N[6a])(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]N[6a])(O)	120.0440	0.000	1	120.0440	0.000	1	120.0440	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	120.8400	0.000	1	120.8400	0.000	1	120.8400	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	118.1038	0.779	4	118.1038	0.608	4	118.1038	0.608	4	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	117.7555	0.517	2	117.7555	0.267	2	117.7555	0.267	2	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)	C(C[6a]C[6,6a]N[6a])(NCH)(O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(CNO){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6,6a]N[6a])(NCH)(O)	114.8850	0.000	1	114.8850	0.000	1	114.8850	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CNO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(NCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CNO){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(NCC)(O)	114.0440	0.000	1	114.0440	0.000	1	114.0440	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CN[5a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CN[5a]O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(O)	115.3200	0.000	1	115.3200	0.000	1	115.3200	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	113.8165	1.715	2	113.8165	2.940	2	113.8165	2.940	2	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a,6a]N[6a])(NCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(NCH)(O)	114.5157	0.335	3	114.5157	0.112	3	114.5157	0.112	3	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CN[5]H)(H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CCH){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CN[5]H)(H)	118.0320	0.000	1	118.0320	0.000	1	118.0320	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(O)	119.1070	0.000	1	119.1070	0.000	1	116.9923	4.342	3	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(O)	114.9410	0.000	1	114.9410	0.000	1	116.9923	4.342	3	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(O)	116.9290	0.000	1	116.9290	0.000	1	116.9923	4.342	3	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:Cl-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]2)(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClC){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]2)(Cl)	117.8630	0.000	1	117.8630	0.000	1	117.8630	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	116.7800	0.000	1	116.7800	0.000	1	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.0280	0.000	1	117.0280	0.000	1	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.6310	0.000	1	117.6310	0.000	1	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCH)(H)	117.9557	0.779	4	117.9557	0.607	4	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[5a]H)(H)	116.8580	2.596	2	116.8580	6.742	2	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	118.8375	3.005	4	118.8375	9.027	4	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	119.6590	1.030	2	119.6590	1.060	2	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	116.7469	1.850	45	116.7469	3.421	45	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CFN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CFN)(H)	113.4400	0.000	1	113.4400	0.000	1	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.0095	0.419	2	117.0095	0.176	2	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	116.3681	0.431	7	116.3681	0.186	7	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	114.7645	0.950	2	115.1253	0.659	4	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	115.4860	0.745	2	115.1253	0.659	4	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.6112	0.938	6	117.6112	0.879	6	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(CHN)(H)	119.2900	0.000	1	119.2900	0.000	1	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.6160	0.000	1	117.6160	0.000	1	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.3440	1.468	4	117.3440	2.156	4	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(CHN)(H)	116.0760	0.000	1	116.0760	0.000	1	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CCH){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.1420	0.000	1	117.1420	0.000	1	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.4600	0.000	1	116.6020	0.770	3	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){2|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	116.1730	0.660	2	116.6020	0.770	3	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	115.2705	0.699	2	115.2705	0.489	2	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	119.4287	0.330	3	119.1890	0.302	4	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	118.4700	0.000	1	119.1890	0.302	4	117.0109	3.160	97	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCH)(O)	116.7930	0.000	1	117.4307	0.300	16	116.9389	1.386	21	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCH)(O)	117.4361	0.539	14	117.4307	0.300	16	116.9389	1.386	21	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCH)(O)	117.9930	0.000	1	117.4307	0.300	16	116.9389	1.386	21	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6]N)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6]N)(O)	114.5750	0.000	1	114.5750	0.000	1	116.9389	1.386	21	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CSeN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CSeN)(O)	115.8630	0.000	1	115.8630	0.000	1	116.9389	1.386	21	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCH)(O)	117.4710	0.000	1	117.4710	0.000	1	116.9389	1.386	21	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]O)(O)	114.5240	0.000	1	114.5240	0.000	1	116.9389	1.386	21	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CNO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CNO)(O)	114.3930	0.000	1	114.3930	0.000	1	116.9389	1.386	21	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	113.8210	0.000	1	113.8210	0.000	1	117.1003	11.468	14	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5,5]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5,5]C[5])(H)	118.4340	0.000	1	118.4340	0.000	1	117.1003	11.468	14	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5,6]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5,6]C[5])(H)	124.1460	0.000	1	124.1460	0.000	1	117.1003	11.468	14	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(H)	116.1598	2.695	4	116.1598	7.263	4	117.1003	11.468	14	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(H)	117.4205	4.052	4	117.4205	16.416	4	117.1003	11.468	14	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	113.8670	0.000	1	113.8670	0.000	1	117.1003	11.468	14	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]S[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]S[5])(H)	116.6070	0.000	1	116.6070	0.000	1	117.1003	11.468	14	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]S[5]2)(H)	118.2080	0.000	1	118.2080	0.000	1	117.1003	11.468	14	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:I-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]I)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]I){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(I)	116.3920	0.926	2	116.3920	0.858	2	116.3920	0.858	2	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(O)	117.4430	0.000	1	117.4430	0.000	1	117.4430	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(H)	114.3860	0.000	1	114.3860	0.000	1	114.3860	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(O)	117.5680	0.731	4	117.5680	0.534	4	117.5680	0.534	4	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	113.5515	0.043	2	113.5515	0.002	2	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	113.6670	0.000	1	113.6670	0.000	1	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	117.0380	0.000	1	117.3855	0.242	2	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	117.7330	0.000	1	117.3855	0.242	2	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	117.4640	1.307	3	117.4640	1.707	3	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]N[6a])2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(O)	115.2885	0.138	2	115.2885	0.019	2	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	116.7510	0.000	1	116.7510	0.000	1	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(O)	117.1230	0.000	1	117.1230	0.000	1	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	117.9255	1.429	6	117.9255	2.042	6	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(O)	115.9875	0.040	2	115.9875	0.002	2	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	118.2570	0.000	1	118.2570	0.000	1	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	116.7570	0.000	1	116.7570	0.000	1	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[6a]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	112.6970	0.000	1	112.6970	0.000	1	116.5053	3.517	23	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHN)(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHN)(N)	115.9330	0.000	1	115.9330	0.000	1	115.9330	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO){3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(NCH)(O)	117.2320	0.000	1	117.2320	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(NCH)(O)	116.3530	0.000	1	116.3530	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	116.2197	0.886	3	116.2197	0.785	3	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	116.4690	0.000	1	113.7310	14.993	2	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NCH)(O)	110.9930	0.000	1	113.7310	14.993	2	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	114.0130	0.615	2	114.0130	0.378	2	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NHN)(O)	111.8400	0.000	1	111.8400	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	116.2000	0.000	1	116.2000	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	114.7247	0.388	3	114.7247	0.150	3	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NHN)(O)	114.8990	0.000	1	114.8990	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(O)	117.1250	2.561	3	117.1250	6.558	3	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(O)	115.7370	2.513	2	116.5437	5.110	3	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NCC)(O)	118.1570	0.000	1	116.5437	5.110	3	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	116.5890	0.000	1	116.5890	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(O)	115.0660	0.000	1	115.0660	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(O)	118.0070	0.000	1	118.0070	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	116.8543	0.482	6	117.0619	0.471	61	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	116.9983	0.643	3	117.0619	0.471	61	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	117.0345	0.689	45	117.0619	0.471	61	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NCH)(O)	117.4430	0.820	7	117.0619	0.471	61	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[5,6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5,6]H)(O)	116.9163	0.307	3	116.9163	0.094	3	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	116.3140	0.358	2	116.5073	0.176	3	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	116.8940	0.000	1	116.5073	0.176	3	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	117.1493	0.527	3	117.1493	0.277	3	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	117.5910	0.099	2	117.5910	0.010	2	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	117.0127	0.549	7	117.0127	0.302	7	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]2)(O)	115.5980	0.000	1	115.5980	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	116.9593	1.644	3	117.2464	2.464	5	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	117.6770	1.957	2	117.2464	2.464	5	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	116.1065	0.161	2	117.0756	0.366	58	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	116.5330	0.000	1	117.0756	0.366	58	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	117.6985	0.353	2	117.0756	0.366	58	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	117.0780	0.581	51	117.0756	0.366	58	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	117.6335	0.531	2	117.0756	0.366	58	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(O)	116.7963	0.798	30	116.7963	0.637	30	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHN)(O)	116.6300	0.000	1	117.0719	0.407	28	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHN)(O)	117.0883	0.644	27	117.0719	0.407	28	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHO)(O)	117.3380	0.301	2	117.3380	0.091	2	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN[5]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN[5]H)(O)	116.5935	0.486	2	116.5935	0.236	2	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	116.3020	0.806	29	116.3020	0.650	29	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Br<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(O)	116.8050	1.516	2	116.6525	2.209	20	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(O)	116.1028	1.158	4	116.6525	2.209	20	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(O)	116.6618	1.707	12	116.6525	2.209	20	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCC)(O)	117.5435	0.872	2	116.6525	2.209	20	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	117.1456	0.625	5	117.0547	0.715	198	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	116.8691	0.793	10	117.0547	0.715	198	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	115.8577	0.848	3	117.0547	0.715	198	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	117.0825	0.843	180	117.0547	0.715	198	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[3x6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[3x6]H)(O)	117.2219	1.570	10	117.2219	2.464	10	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	117.8155	1.199	4	117.8155	1.439	4	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	118.2478	0.908	53	118.1854	0.902	55	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	116.5310	0.389	2	118.1854	0.902	55	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	115.9764	1.952	7	115.9764	3.810	7	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	117.3744	0.884	98	117.3744	0.781	98	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(O)	117.9990	0.000	1	117.9990	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHN)(O)	117.8272	0.929	25	117.8272	0.863	25	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NHO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHO)(O)	118.0255	0.428	2	118.0255	0.183	2	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	117.5610	0.000	1	117.5610	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|N<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	114.7530	0.165	3	114.7530	0.027	3	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(NCH)(O)	115.5890	0.276	2	115.3684	0.364	5	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(NCH)(O)	115.2213	0.780	3	115.3684	0.364	5	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(NHH)(O)	116.2670	0.730	2	116.2670	0.533	2	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(NCC)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]N[6a])(NCC)(O)	116.5270	0.000	1	116.5270	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(CNO){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]N[6a])(NCH)(O)	116.3328	0.780	4	116.3328	0.609	4	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(NCH)(O)	115.6844	2.214	9	115.6844	4.901	9	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(NHH)(O)	114.7970	1.105	2	114.7970	1.220	2	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(NCH)(O)	117.9625	0.001	2	118.0378	0.536	13	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(O)	118.0515	0.801	11	118.0378	0.536	13	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCN)(O)	118.1933	2.049	4	118.1933	4.199	4	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	116.1190	0.000	1	116.1190	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	118.8670	0.000	1	118.8670	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	118.4110	0.000	1	118.4634	0.592	59	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	118.4643	0.776	58	118.4634	0.592	59	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(NHH)(O)	118.2340	0.000	1	118.1137	0.428	34	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(O)	118.1100	0.664	33	118.1137	0.428	34	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(NHN)(O)	119.6435	0.045	2	118.2542	0.517	23	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHN)(O)	118.1219	0.597	21	118.2542	0.517	23	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NN[5a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NN[5a]H)(O)	119.0925	1.867	2	119.0925	3.487	2	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	118.1390	0.000	1	118.1390	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNO){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHN)(O)	117.8140	0.000	1	117.8140	0.000	1	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NCH)(O)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|N<2>,2|N<3>}	C(C[6a]C[6a]N[6a])(NCH)(O)	116.4460	0.492	2	116.4460	0.242	2	117.2612	1.342	846	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:S-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	115.6945	0.262	2	115.6945	0.069	2	116.2411	0.504	19	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:S-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(S)	115.3580	0.608	2	115.3580	0.370	2	116.2411	0.504	19	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:S-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCH)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(S)	116.3824	0.660	11	116.3824	0.435	11	116.2411	0.504	19	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:S-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	116.5673	0.701	4	116.5673	0.492	4	116.2411	0.504	19	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[4,6]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4,6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[4,6]C[4,6,6]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4,6]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[4,6]C[4,6,6]2)(O)	117.8740	0.000	1	117.8740	0.000	1	117.8740	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[4]-3:O-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	115.1305	1.537	2	115.1305	2.361	2	117.1607	6.283	4	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[4]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[4]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[4]C[4]2)(O)	119.1910	0.014	2	119.1910	0.000	2	117.1607	6.283	4	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5,6]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5,6]C[5,6]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5,6]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5,6]C[5,6]2)(O)	118.0490	0.000	1	118.0490	0.000	1	118.0490	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]In[5]N[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]In[5]N[5])(H)	115.7570	0.000	1	115.7570	0.000	1	115.7570	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6]C[5])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6]C[5])(O)	119.2450	0.904	2	119.2450	0.817	2	119.1144	1.191	5	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	119.7285	0.969	2	119.7285	0.940	2	119.1144	1.191	5	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(O)	117.6250	0.000	1	117.6250	0.000	1	119.1144	1.191	5	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:O-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CN[5a]O)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CN[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	114.8360	0.000	1	114.8360	0.000	1	116.0226	2.610	5	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(O)	117.3895	1.832	2	117.3895	3.357	2	116.0226	2.610	5	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	115.2490	0.861	2	115.2490	0.742	2	116.0226	2.610	5	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(O)	116.2580	0.000	1	116.2580	0.000	1	118.0206	1.396	5	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(O)	119.1510	0.000	1	119.1510	0.000	1	118.0206	1.396	5	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]O[6])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]O[6])(O)	117.4780	0.000	1	117.4780	0.000	1	118.0206	1.396	5	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	118.2800	0.000	1	118.2800	0.000	1	118.0206	1.396	5	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[6]O){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)	118.9360	0.000	1	118.9360	0.000	1	118.0206	1.396	5	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PC[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2)(O)	116.1910	0.296	2	116.1910	0.087	2	116.2441	0.822	16	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(PC[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(COP){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]C)(O)	116.2516	0.970	14	116.2516	0.942	14	116.2441	0.822	16	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(N[5]C[5,5,6,6]N[5])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(N[5]C[5,5,6,6]N[5])(C[6a]C[6a]N[6a])(O)	114.3870	0.000	1	114.3870	0.000	1	114.3870	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(O)	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	117.7850	0.000	1	117.7850	0.000	1	117.7850	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CNO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHN)(O)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]N[6a])(NHN)(O)	115.4360	0.000	1	115.4360	0.000	1	115.4360	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	N[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N)	C(C[6a]N[6a,6a]N[6a])(CCN)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N){2|C<3>}	C(C[6a]N[6a,6a]N[6a])(CCN)(H)	123.9410	0.000	1	123.9410	0.000	1	123.9410	0.000	1	117.1789	1.846	1096	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCN)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCN)(CN)	117.4410	0.000	1	117.4410	0.000	1	116.6509	0.807	11	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[5]H)(CN)	116.0670	0.000	1	116.0670	0.000	1	116.6509	0.807	11	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	115.9064	0.486	5	115.9064	0.236	5	116.6509	0.807	11	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	117.6995	0.091	2	117.6995	0.008	2	116.6509	0.807	11	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CHN)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CHN)(CN)	117.3605	0.419	2	117.3605	0.176	2	116.6509	0.807	11	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCO)(NN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(CCO)(NN)	115.3980	0.000	1	115.3980	0.000	1	116.0510	0.251	13	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CNO)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CNO)(NO)	116.1250	0.000	1	116.1250	0.000	1	116.0510	0.251	13	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(COO)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(COO)(NN)	116.1036	0.505	11	116.1036	0.255	11	116.0510	0.251	13	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CCO){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(OC)	114.5620	0.000	1	114.5620	0.000	1	116.3112	1.384	6	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCH)(OFe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCH)(OFe)	118.0750	0.000	1	118.0750	0.000	1	116.3112	1.384	6	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCH)(OH)	116.2315	0.551	2	116.2315	0.303	2	116.3112	1.384	6	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]C)(OS)	115.9230	0.000	1	115.9230	0.000	1	116.3112	1.384	6	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CCH)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCH)(OH)	116.8440	0.000	1	116.8440	0.000	1	116.3112	1.384	6	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:S-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]S)(SCo)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]S)(SCo)	117.4765	0.537	2	117.4765	0.288	2	117.8420	0.545	3	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:S-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CHS)(SNi)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(CHS)(SNi)	118.5730	0.000	1	118.5730	0.000	1	117.8420	0.545	3	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:Se-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]Se)(SeCo)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]Se)(SeCo)	117.8510	0.000	1	117.8510	0.000	1	117.8510	0.000	1	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	118.1000	1.123	2	118.1000	1.261	2	117.9994	4.821	5	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	117.9323	2.999	3	117.9323	8.995	3	117.9994	4.821	5	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(ORh)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(ORh)	119.3230	0.000	2	119.3230	0.000	2	119.3230	0.000	2	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC)	118.2210	0.000	1	118.2210	0.000	1	116.9923	0.884	40	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	117.3283	0.877	15	117.3283	0.769	15	116.9923	0.884	40	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	116.2070	0.197	2	116.2070	0.039	2	116.9923	0.884	40	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])2(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(NN)	117.1368	0.783	14	117.1368	0.613	14	116.9923	0.884	40	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])2(NS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(NS)	115.8113	0.695	6	115.8113	0.484	6	116.9923	0.884	40	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a])	117.1755	0.361	2	117.1755	0.131	2	116.9923	0.884	40	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]P)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]P){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a])	116.8940	0.000	1	116.8940	0.000	1	116.8940	0.000	1	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	115.1760	0.000	1	115.1760	0.000	1	115.8934	0.447	41	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6]C)(NC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]C)(NC[6])	115.7380	0.000	1	115.7380	0.000	1	115.8934	0.447	41	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	116.4410	0.000	1	116.4410	0.000	1	115.8934	0.447	41	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	115.5974	0.453	8	115.5974	0.205	8	115.8934	0.447	41	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NCuH)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCuH)(NC)	116.2678	0.377	4	116.2678	0.142	4	115.8934	0.447	41	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(NN)	115.8237	0.595	13	115.8237	0.354	13	115.8934	0.447	41	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(NO)	114.9920	0.522	2	114.9920	0.272	2	115.8934	0.447	41	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHN)(NH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHN)(NH)	115.0500	0.000	1	115.0500	0.000	1	115.8934	0.447	41	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NNiH)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NNiH)(NC)	115.6685	0.384	2	115.6685	0.147	2	115.8934	0.447	41	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(NN)	115.2950	0.000	1	115.2950	0.000	1	115.8934	0.447	41	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(NN)	116.6446	0.592	5	116.6446	0.351	5	115.8934	0.447	41	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NO)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(NO)	116.9140	0.298	2	116.9140	0.089	2	115.8934	0.447	41	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHN)(OCd)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHN)(OCd)	116.3977	1.130	3	116.3977	1.276	3	116.1322	0.852	6	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NCH)(OCd)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NCH)(OCd)	115.8667	0.801	3	115.8667	0.642	3	116.1322	0.852	6	116.5482	1.234	129	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]C){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	115.8175	0.984	6	115.8175	0.968	6	115.8175	0.968	6	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	117.1935	0.069	2	117.1935	0.005	2	117.1935	0.005	2	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	117.4180	0.000	1	117.4180	0.000	1	117.4180	0.000	1	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:Se-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]Se)(SeCo2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]Se)(SeCo2)	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])2	116.7535	0.844	2	116.7535	0.712	2	116.7535	0.712	2	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNiC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNiC)	113.7025	0.108	2	113.7025	0.012	2	116.3866	7.456	19	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCdN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCdN)	114.8390	0.835	3	114.8390	0.697	3	116.3866	7.456	19	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCuC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCuC)	116.0960	0.000	1	116.0960	0.000	1	116.3866	7.456	19	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NFeN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NFeN)	114.7908	0.266	4	114.7908	0.071	4	116.3866	7.456	19	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNV)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNV)	114.2550	0.000	1	114.2550	0.000	1	116.3866	7.456	19	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNiO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNiO)	119.8057	2.212	6	119.8057	4.892	6	116.3866	7.456	19	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NZnN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NZnN)	115.5375	0.385	2	115.5375	0.149	2	116.3866	7.456	19	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	116.2425	0.884	6	116.2425	0.782	6	116.5531	0.759	10	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])2(CC[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(CC[5]H)	117.6170	0.129	2	117.6170	0.017	2	116.5531	0.759	10	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	116.4210	0.160	2	116.4210	0.026	2	116.5531	0.759	10	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(CCC)	116.4350	0.000	1	116.4350	0.000	1	116.2590	0.062	2	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	116.0830	0.000	1	116.0830	0.000	1	116.2590	0.062	2	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(NHN)	113.8415	0.414	2	113.8415	0.171	2	114.3978	0.446	8	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(NHH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)2	114.5777	0.702	3	114.5777	0.493	3	114.3978	0.446	8	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(NHN)	115.4570	0.000	1	115.4570	0.000	1	114.3978	0.446	8	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NHH)(NHN)	114.1545	0.093	2	114.1545	0.009	2	114.3978	0.446	8	116.0418	3.842	52	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(CH3)	116.4050	0.000	1	116.4050	0.000	1	115.9460	1.257	4	115.6336	1.094	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	114.5250	0.000	1	114.5250	0.000	1	115.9460	1.257	4	115.6336	1.094	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(CCHH)	116.4270	1.038	2	116.4270	1.078	2	115.9460	1.257	4	115.6336	1.094	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CH3)	116.3060	0.000	1	116.3060	0.000	1	116.3060	0.000	1	115.6336	1.094	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)	114.7140	0.000	1	114.7140	0.000	1	114.7140	0.000	1	115.6336	1.094	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]Ge[5]C[5])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]Ge[5]C[5])(CH3)	114.4195	0.620	2	114.4195	0.385	2	115.3830	1.380	4	115.6336	1.094	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]Ga[3x5]N[5])(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]Ga[3x5]N[5])(CH3)	116.2000	0.000	1	116.2000	0.000	1	115.3830	1.380	4	115.6336	1.094	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N[5]Ga[5,5]N[5])(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN[5]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]Ga[5,5]N[5])(CH3)	116.4930	0.000	1	116.4930	0.000	1	115.3830	1.380	4	115.6336	1.094	10	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]N[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(CH3)(O)	117.9710	0.000	1	117.9710	0.000	1	117.9710	0.000	1	117.0960	0.389	51	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(O)	116.1650	0.000	1	116.1650	0.000	1	117.0223	0.379	38	117.0960	0.389	51	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCCH)(O)	116.7730	0.299	3	116.7730	0.089	3	117.0223	0.379	38	117.0960	0.389	51	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(O)	117.1667	0.461	19	117.1667	0.212	19	117.0223	0.379	38	117.0960	0.389	51	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CN[5a]HO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CN[5a]HO)(O)	116.1330	0.000	1	116.1330	0.000	1	117.0223	0.379	38	117.0960	0.389	51	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(O)	116.6988	0.310	8	116.7425	0.161	12	117.0223	0.379	38	117.0960	0.389	51	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CH3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){3|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(O)	116.8300	0.591	4	116.7425	0.161	12	117.0223	0.379	38	117.0960	0.389	51	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CCHH)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(CCHH)(O)	118.5765	0.630	2	118.5765	0.397	2	117.0223	0.379	38	117.0960	0.389	51	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:O-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[3]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[3]C[3]2H)(O)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(CC[3]O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>}	C(C[6a]C[6a]N[6a])(C[3]C[3]2H)(O)	116.9605	0.366	2	116.9605	0.134	2	116.9605	0.134	2	117.0960	0.389	51	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[4]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[4]C[4]2H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[4]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[4]C[4]2H)(O)	116.7640	0.346	2	116.7640	0.120	2	116.7640	0.120	2	117.0960	0.389	51	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2H)(O)	117.4539	0.646	8	117.4539	0.417	8	117.4539	0.417	8	117.0960	0.389	51	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CC[6])	116.7680	0.000	1	116.7680	0.000	1	117.5943	0.545	3	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC3)(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC3)(CC)	118.0075	0.258	2	118.0075	0.067	2	117.5943	0.545	3	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(NN)	115.3900	0.371	3	115.3900	0.137	3	116.6334	1.585	79	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NO)	115.6377	0.446	3	115.6377	0.199	3	116.6334	1.585	79	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(NC)	115.2836	0.888	7	115.2836	0.789	7	116.6334	1.585	79	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(NN)	116.9150	0.000	1	116.8031	1.274	37	116.6334	1.585	79	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(NN)	118.2090	0.000	1	116.8031	1.274	37	116.6334	1.585	79	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(NN)	116.7597	1.135	35	116.8031	1.274	37	116.6334	1.585	79	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(NO)	116.0180	0.000	1	116.0180	0.000	1	116.6334	1.585	79	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(NC)	116.7873	0.340	3	116.7873	0.116	3	116.6334	1.585	79	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(NN)	116.6275	1.807	2	116.6275	3.264	2	116.6334	1.585	79	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(CH3)(NN)	114.0280	0.550	3	114.0280	0.302	3	116.6334	1.585	79	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(NN)	117.4744	0.730	18	117.4744	0.532	18	116.6334	1.585	79	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(CH3)(NN)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCN){1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(CH3)(NN)	117.9985	0.726	2	117.9985	0.527	2	116.6334	1.585	79	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SCCO)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SCCO)(CN)	116.5470	0.000	1	116.5470	0.000	1	116.5470	0.000	1	116.6671	1.554	83	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(CCO)	115.3620	0.000	1	115.3620	0.000	1	115.3620	0.000	1	115.9510	0.293	7	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH3)(NHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH3)(NHN)	115.8645	0.225	4	115.8645	0.050	4	115.8645	0.050	4	115.9510	0.293	7	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(SiC3)(CSiH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(SiC3)(CSiH)	116.4185	0.890	2	116.4185	0.793	2	116.4185	0.793	2	115.9510	0.293	7	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PC[6a]2Ir)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2Ir)2	118.2070	0.000	1	118.2070	0.000	1	117.5565	0.846	2	117.5565	0.846	2	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(PC[6a]2Pt)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CPP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(PC[6a]2Pt)2	116.9060	0.000	1	116.9060	0.000	1	117.5565	0.846	2	117.5565	0.846	2	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	4:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(O)	120.3440	0.000	1	120.3440	0.000	1	120.3440	0.000	1	115.4120	48.649	2	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:2:3:	3:3:	4:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6]C[6,6]C[6]S)(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6,6]C[6]S)(C[6a]C[6a]N[6a])(O)	110.4800	0.000	1	110.4800	0.000	1	110.4800	0.000	1	115.4120	48.649	2	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:2:	3:3:	3:3:3:	C-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[6a]-3:	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.9530	0.000	1	117.9530	0.000	1	117.9530	0.000	1	116.3743	3.715	6	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:2:	3:3:	3:3:3:	C[6a]-3:C-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	113.9220	0.000	1	113.9220	0.000	1	113.9220	0.000	1	116.3743	3.715	6	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:2:	3:3:	3:3:3:	C[6a]-3:C-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])2(C[5]S[5]2)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(C[5]S[5]2)	115.1075	0.952	2	115.1075	0.907	2	115.1075	0.907	2	116.3743	3.715	6	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:2:	3:3:	3:3:3:	C[6a]-3:C-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(CC[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(CC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2)	118.0780	0.386	2	118.0780	0.149	2	118.0780	0.149	2	116.3743	3.715	6	116.7520	2.789	2549	116.7520	2.789	2549
643	371	930	0:SP2_SP2_SP2	C[6a]	N[6a]	C	3:3:2:	3:3:	6:3:1:	C-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6a]-3:O-1:	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(O)	C[6a](CC[5x3,5x5,20x6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[6a])(O)	119.2680	0.000	1	119.2680	0.000	1	119.2680	0.000	1	119.2680	0.000	1	116.7520	2.789	2549	116.7520	2.789	2549