818	727	960	0:SP2_SP2_SP2	C[5,6]	C[5a,6]	N[5]	3:4:2:	3:3:2:	3:3:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[5a,6]-3:S[5a]-2:	C[5,6]-3:C[5]-3:	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[6]O[5]C)(N[5]C[5])	C[5a,6](C[5,6]C[5,6]N[5])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	N[5](C[5,6]C[5a,6]C[5,6])(C[5]O[5]O)	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[6]O[5]C)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5,6]C[5,6]N[5])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6])(C[5]O[5]O){1|C<3>,1|S<2>,2|C<4>}	129.5660	0.000	1	129.5660	0.000	1	129.5660	0.000	1	127.1057	4.713	3	127.1057	4.713	3	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5,6]	C[5a,6]	N[5]	3:4:2:	3:3:2:	3:3:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5a,6]-3:C[5,6]-3:N[5a]-2:	C[5,6]-3:C[5]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5])	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5,6]C[5,6]N[5])(N[5a]C[5a])	N[5](C[5,6]C[5a,6]C[5,6])(C[5]C[6a]S[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5]){1|C<4>,2|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5,6]C[5,6]N[5])(N[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5a,6]C[5,6])(C[5]C[6a]S[5]){1|N<2>,2|C<4>,3|C<3>}	126.2920	0.000	1	126.2920	0.000	1	126.2920	0.000	1	127.1057	4.713	3	127.1057	4.713	3	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5,6]	C[5a,6]	N[5]	3:4:2:	3:3:2:	3:3:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5a,6]-3:C[5,6]-3:S[5a]-2:	C[5,6]-3:C[5]-3:	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5])	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]N[5])(S[5a]C[5a])	N[5](C[5,6]C[5a,6]C[5,6])(C[5]C[6a]S[5])	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5]){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]N[5])(S[5a]C[5a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5a,6]C[5,6])(C[5]C[6a]S[5]){1|S<2>,2|C<4>,3|C<3>}	125.4590	0.000	1	125.4590	0.000	1	125.4590	0.000	1	127.1057	4.713	3	127.1057	4.713	3	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	2:2:3:	3:2:	C[5a]-3:N[5]-2:N[5]-2:	N[5a]-2:N[5a]-2:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[5a]N[5a]2)(N[5]C[5])(N[5]N[5])	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5])	C[5](C[5a]N[5a]2)(N[5]C[5])(N[5]N[5]){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5a]N[5])(N[5]C[5]){1|C<3>,2|N<2>}	121.0040	1.878	2	121.0040	3.527	2	121.0040	3.527	2	118.5728	2.135	14	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	2:2:3:	3:2:	C[5a]-3:N[5]-2:N[5]-2:	N[5a]-2:O[5a]-2:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5a]N[5a]O[5a])(N[5]S[5])2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(S[5]S[5])	C[5](C[5a]N[5a]O[5a])(N[5]S[5])2{2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|S<2>}	N[5](C[5]C[5a]N[5])(S[5]S[5]){1|N<2>,1|O<2>}	118.1175	0.283	8	118.1175	0.080	8	118.1175	0.080	8	118.5728	2.135	14	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	2:2:3:	3:2:	C[5a]-3:N[5]-2:N[5]-2:	N[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5a]N[5a]S[5a])(N[5]S[5])2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(S[5]S[5])	C[5](C[5a]N[5a]S[5a])(N[5]S[5])2{2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|S<2>}	N[5](C[5]C[5a]N[5])(S[5]S[5]){1|N<2>,1|S<2>}	118.2678	1.808	4	118.2678	3.270	4	118.2678	3.270	4	118.5728	2.135	14	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:N[5]-2:N[5]-2:	N[5a]-2:N[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5])(N[5]N[5])	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(C[5]C[6]N[5])	C[5](C[5a]N[5a]2)(N[5]C[5])(N[5]N[5]){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[6]N[5]){1|C<3>,1|N<3>,2|N<2>}	127.6135	2.637	2	127.6135	6.953	2	127.6135	6.953	2	123.6270	9.205	7	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:N[5]-2:S[5]-2:	N[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5])	N[5](C[5]C[5a]S[5])(C[5]C[5]O)	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5]){1|C<4>,3|C<3>}	N[5](C[5]C[5a]S[5])(C[5]C[5]O){1|N<2>,1|S<2>,2|C<4>}	121.6583	0.571	4	122.0324	0.945	5	122.0324	0.945	5	123.6270	9.205	7	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	2:2:3:	3:3:	C[5a]-3:N[5]-2:S[5]-2:	N[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5])	N[5](C[5]C[5a]S[5])(C[5]C[5]O)	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5]){1|O<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5]){1|C<2>,3|C<3>}	N[5](C[5]C[5a]S[5])(C[5]C[5]O){1|N<2>,1|S<2>}	123.5290	0.000	1	122.0324	0.945	5	122.0324	0.945	5	123.6270	9.205	7	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	2:2:3:	3:4:	C[5a]-3:N[5]-2:S[5]-2:	N[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5])	N[5](C[5]C[5a]S[5])(C[5]C[5]CH)	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5]){3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5]){2|C<3>,2|C<4>}	N[5](C[5]C[5a]S[5])(C[5]C[5]CH){1|N<2>,1|S<2>,2|H<1>}	119.5620	0.000	1	119.5620	0.000	1	121.6790	8.963	2	121.6790	8.963	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	2:2:3:	3:4:	C[5a]-3:N[5]-2:S[5]-2:	N[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5])	N[5](C[5]C[5a]S[5])(C[5]C[5]HH)	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[5]N[5]S[5]){2|C<3>,2|C<4>}	N[5](C[5]C[5a]S[5])(C[5]C[5]HH){1|N<2>,1|S<2>,2|C<4>}	123.7960	0.000	1	123.7960	0.000	1	121.6790	8.963	2	121.6790	8.963	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:2:3:	3:2:	C[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]N[5])	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2{1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(C[5]N[5]2){1|C<4>,2|N<2>}	N[5](C[5]C[5a]N[5])(N[5]N[5]){1|C<3>,1|N<2>}	123.9352	0.979	6	123.9352	0.959	6	123.8356	1.592	26	120.5644	17.044	47	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:2:3:	3:2:	C[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]N[5])	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2{1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){2|N<2>}	N[5](C[5]C[5a]N[5])(N[5]N[5]){1|C<3>,1|N<2>}	123.7335	1.745	4	123.9073	2.918	8	123.8356	1.592	26	120.5644	17.044	47	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:2:3:	3:2:	C[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]N[5])	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2{1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){2|N<2>}	N[5](C[5]C[5a]N[5])(N[5]N[5]){1|C<3>,1|N<2>}	124.0810	1.919	4	123.9073	2.918	8	123.8356	1.592	26	120.5644	17.044	47	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:2:3:	3:2:	C[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2	C[5a](C[5a]N[5a]O)(N[5a]O[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]N[5])	C[5](C[5a]C[5a]N[5a])(N[5]N[5])2{1|N<2>,2|O<2>}	C[5a](C[5a]N[5a]O)(N[5a]O[5a])(C[5]N[5]2){2|N<2>}	N[5](C[5]C[5a]N[5])(N[5]N[5]){1|C<3>,1|N<2>}	123.7380	1.143	12	123.7380	1.306	12	123.8356	1.592	26	120.5644	17.044	47	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:2:3:	3:2:	C[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:O[5]-2:	C[5](C[5a]C[5a]N[5a])(N[5]C[5])(N[5]O[5])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(O[5]C[5])	C[5](C[5a]C[5a]N[5a])(N[5]C[5])(N[5]O[5]){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){1|C<3>,1|O<2>}	N[5](C[5]C[5a]N[5])(O[5]C[5]){1|C<3>,1|N<2>,1|O<1>}	118.6420	0.000	1	120.3150	2.295	3	120.3150	2.295	3	120.5644	17.044	47	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:2:3:	3:2:	C[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:O[5]-2:	C[5](C[5a]C[5a]N[5a])(N[5]C[5])(N[5]O[5])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(O[5]C[5])	C[5](C[5a]C[5a]N[5a])(N[5]C[5])(N[5]O[5]){1|O<1>,1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){1|C<3>,1|O<2>}	N[5](C[5]C[5a]N[5])(O[5]C[5]){1|C<3>,1|N<2>,1|O<1>}	121.1515	0.626	2	120.3150	2.295	3	120.3150	2.295	3	120.5644	17.044	47	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:2:3:	3:2:	C[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5]-3:Se[5]-2:	C[5](C[5a]C[5a]O[5a])(N[5]Se[5])2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(Se[5]Se[5])	C[5](C[5a]C[5a]O[5a])(N[5]Se[5])2{1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){2|Se<2>,1|C<2>,1|H<1>}	N[5](C[5]C[5a]N[5])(Se[5]Se[5]){1|C<3>,1|O<2>}	115.6049	1.920	16	115.6049	3.686	16	115.6049	3.686	16	120.5644	17.044	47	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:2:3:	3:2:	C[5a]-3:N[5]-2:N[5]-2:	N[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5a]N[5a]2)(N[5]S[5])2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(S[5]S[5])	C[5](C[5a]N[5a]2)(N[5]S[5])2{1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|S<2>}	N[5](C[5]C[5a]N[5])(S[5]S[5]){1|N<2>,1|N<3>}	118.0895	0.381	2	118.0895	0.145	2	118.0895	0.145	2	120.5644	17.044	47	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5])(N[5]O[5])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(C[5]O[5]O)	C[5](C[5a]C[5a]N[5a])(N[5]C[5])(N[5]O[5]){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){1|C<3>,1|O<2>}	N[5](C[5]C[5a]N[5])(C[5]O[5]O){1|C<3>,1|N<2>}	124.5540	0.000	1	123.0500	2.054	3	123.0500	2.054	3	122.6207	1.483	7	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5])(N[5]O[5])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(C[5]O[5]O)	C[5](C[5a]C[5a]N[5a])(N[5]C[5])(N[5]O[5]){1|O<1>,1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){1|C<3>,1|O<2>}	N[5](C[5]C[5a]N[5])(C[5]O[5]O){1|C<3>,1|N<2>}	122.2980	0.846	2	123.0500	2.054	3	123.0500	2.054	3	122.6207	1.483	7	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:2:3:	3:3:	C[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(N[5]C[5])2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(C[5]C[6a]C[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[5])2{1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){1|H<1>,3|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[6a]C[5]){1|S<2>,4|C<3>}	122.2987	1.129	4	122.2987	1.274	4	122.2987	1.274	4	122.6207	1.483	7	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:2:3:	3:4:	C[5a]-3:N[5]-2:N[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[5])2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)	C[5](C[5a]C[5a]S[5a])(N[5]C[5])2{2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){2|C<4>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]HH){1|C<3>,1|S<2>,2|H<1>}	121.6075	1.258	2	121.6075	1.582	2	121.6075	1.582	2	121.6075	1.582	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:3:2:	3:2:	C[5a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:N[5]-2:	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]N[5])	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	N[5](C[5]C[5a]Se[5])(N[5]C[5])	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5a]Se[5])(N[5]C[5]){1|O<2>,2|C<3>}	122.0070	0.615	2	122.0070	0.378	2	122.0070	0.378	2	121.6003	0.998	4	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:3:2:	3:2:	C[5a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:N[5]-2:	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])(N[5]N[5])	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	N[5](C[5]C[5a]Se[5])(N[5]C[5])	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5a]Se[5])(N[5]C[5]){1|S<2>,2|C<3>}	121.1935	1.398	2	121.1935	1.954	2	121.1935	1.954	2	121.6003	0.998	4	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:3:2:	3:3:	C[5a]-3:N[5]-2:O[5]-2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]N[5])(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]N[5a]N)(N[5a]O[5a])	N[5](C[5]C[5a]O[5])(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]N[5])(O[5]C[5]){1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[5a](C[5]N[5]O[5])(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<3>}	N[5](C[5]C[5a]O[5])(N[5]C[5]H){1|C<3>,1|N<2>,1|N<3>}	127.3270	0.000	1	127.3270	0.000	1	127.3270	0.000	1	127.2510	3.357	3	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:3:2:	3:3:	C[5a]-3:N[5]-2:O[5]-2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]N[5])(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	N[5](C[5]C[5a]O[5])(N[5]C[5]H)	C[5](C[5a]C[5a]O[5a])(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5a]O[5])(N[5]C[5]H){1|C<3>,1|O<2>,1|S<1>}	129.0440	0.000	1	129.0440	0.000	1	129.0440	0.000	1	127.2510	3.357	3	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:3:2:	3:3:	C[5a]-3:Se[5]-2:N[5]-2:	C[5a]-3:C[5]-3:O[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]C[5])	C[5a](C[5a]C[5a,6a]H)(C[5]Se[5]N[5])(O[5a]C[5a,6a])	N[5](C[5]C[5a]Se[5])(C[5]C[5]H)	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]C[5]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5]Se[5]N[5])(O[5a]C[5a,6a]){4|C<3>}	N[5](C[5]C[5a]Se[5])(C[5]C[5]H){1|O<2>,2|C<3>}	125.3820	0.000	1	125.3820	0.000	1	125.3820	0.000	1	127.2510	3.357	3	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:2:2:	3:3:2:	3:4:	C[5a]-3:N[5]-2:O[5]-2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:C[5]-4:	C[5](C[5a]C[5a]O[5a])(N[5]C[5])(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	N[5](C[5]C[5a]O[5])(C[5]C[5]CC)	C[5](C[5a]C[5a]O[5a])(N[5]C[5])(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|O<1>,1|O<2>}	130.1840	0.000	1	130.1840	0.000	1	130.1840	0.000	1	130.1840	0.000	1	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	2:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	N[5a]-2:N[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Co)(N[5]N[5])	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]N[5a]2)(N[5]C[5]Co)(N[5]N[5]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|Co<6>,1|C<3>,2|N<2>}	122.1255	0.005	2	122.1255	0.000	2	122.7427	1.143	3	122.7427	1.143	3	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	2:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	N[5a]-2:N[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Zn)(N[5]N[5])	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]N[5a]2)(N[5]C[5]Zn)(N[5]N[5]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|Zn<4>,1|Zn<5>,1|N<3>,2|C<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|Zn<4>,1|C<3>,2|N<2>}	123.9770	0.000	1	123.9770	0.000	1	122.7427	1.143	3	122.7427	1.143	3	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:2:	3:2:	C[5]-3:C[5a]-3:N[5]-2:	C[5]-3:N[5a]-2:N[5a]-2:	C[5]-3:O[5]-2:	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	N[5](C[5]C[5a]C[5])(O[5]N[5])	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]){1|C<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|C<3>,1|O<1>,2|N<2>}	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	120.5952	13.626	5	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:2:	3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5a]-2:N[5a]-2:	C[5]-3:N[5]-2:	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]N[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]N[5a])	N[5](C[5]C[5a]C[5])(N[5]N[5])	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]N[5]){1|C<3>,1|N<3>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|N<3>,3|N<2>}	N[5](C[5]C[5a]C[5])(N[5]N[5]){1|N<3>,2|N<2>}	121.2660	0.000	1	121.2660	0.000	1	123.3420	8.620	2	120.5952	13.626	5	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:2:	3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5a]-2:N[5a]-2:	C[5]-3:N[5]-2:	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]N[5])	C[5a](C[5]C[5]N[5])(N[5a]N[5a])2	N[5](C[5]C[5a]C[5])(N[5]N[5])	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]N[5]){1|N<2>,1|N<3>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a])2{1|H<1>,3|N<2>}	N[5](C[5]C[5a]C[5])(N[5]N[5]){3|N<2>}	125.4180	0.000	1	125.4180	0.000	1	123.3420	8.620	2	120.5952	13.626	5	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:2:	3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5a]-2:N[5a]-2:	C[5]-3:O[5]-2:	C[5](C[5a]N[5a]2)(C[5]N[5]C)(N[5]O[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	N[5](C[5]C[5a]C[5])(O[5]N[5])	C[5](C[5a]N[5a]2)(C[5]N[5]C)(N[5]O[5]){1|C<3>,1|O<1>,1|O<2>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|C<4>,1|O<1>,2|N<2>}	119.5030	0.000	1	119.5030	0.000	1	119.5030	0.000	1	120.5952	13.626	5	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:2:	3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5a]-2:O[5a]-2:	C[5]-3:O[5]-2:	C[5](C[5a]N[5a]O[5a])(C[5]N[5]C)(N[5]O[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(O[5a]N[5a])	N[5](C[5]C[5a]C[5])(O[5]N[5])	C[5](C[5a]N[5a]O[5a])(C[5]N[5]C)(N[5]O[5]){1|C<3>,1|N<2>,1|O<1>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(O[5a]N[5a]){1|N<3>,1|O<2>,2|C<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|C<2>,1|N<2>,1|O<1>,1|O<2>}	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1	120.5952	13.626	5	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,2|N<2>}	122.3390	0.000	1	122.3390	0.000	1	124.1882	3.912	5	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|H<1>,2|N<2>,2|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,2|N<2>}	126.3180	0.000	1	126.3180	0.000	1	124.1882	3.912	5	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|H<1>,1|N<2>,2|C<3>}	125.9310	0.000	1	125.9310	0.000	1	124.1882	3.912	5	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|N<2>,2|N<3>}	124.3180	0.000	1	124.3180	0.000	1	124.1882	3.912	5	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|H<1>,1|N<2>,1|O<2>,2|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|N<3>,2|N<2>}	122.0350	0.000	1	122.0350	0.000	1	124.1882	3.912	5	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]C[5]C)(N[5]N[5])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,1|S<1>}	123.2565	0.606	2	123.2565	0.367	2	123.5010	0.244	6	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]C[5]H)(N[5]N[5])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]O[5a])(N[5]C[5]H)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]N[5]2){1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,1|O<2>,1|S<1>}	123.7220	0.000	1	123.7220	0.000	1	123.5010	0.244	6	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(N[5]N[5])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|O<2>,1|S<1>,2|C<3>}	123.5903	0.576	3	123.5903	0.331	3	123.5010	0.244	6	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]S[5a])(N[5]C[5]C)(N[5]N[5])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,1|S<2>}	122.1090	0.000	1	122.1090	0.000	1	122.1090	0.000	1	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	N[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]N[5]Co)(N[5]C[5])	C[5a](N[5a]N[5a]Co)(N[5a]N[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(C[5]C[6]N[5])	C[5](C[5a]N[5a]2)(N[5]N[5]Co)(N[5]C[5]){1|Co<6>,1|C<3>,2|N<2>}	C[5a](N[5a]N[5a]Co)(N[5a]N[5a])(C[5]N[5]2){1|C<3>,1|N<3>}	N[5](C[5]C[5a]N[5])(C[5]C[6]N[5]){2|Co<6>,1|C<3>,1|N<2>,2|N<3>}	132.8070	0.000	1	132.8070	0.000	1	131.6360	2.742	2	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	N[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]N[5]Mn)(N[5]C[5])	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(C[5]C[6]N[5])	C[5](C[5a]N[5a]2)(N[5]N[5]Mn)(N[5]C[5]){1|Mn<6>,1|C<3>,2|N<2>}	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(C[5]N[5]2){1|C<3>,1|N<3>}	N[5](C[5]C[5a]N[5])(C[5]C[6]N[5]){2|Mn<6>,1|C<3>,1|N<2>,2|N<3>}	130.4650	0.000	1	130.4650	0.000	1	131.6360	2.742	2	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	N[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]H)(N[5]N[5])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]N[5a]2)(N[5]C[5]H)(N[5]N[5]){1|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2){1|C<3>,1|H<1>,2|N<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|H<1>,1|N<3>,2|N<2>}	125.0820	0.000	1	125.0820	0.000	1	124.6192	0.171	4	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	N[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]N)(N[5]N[5])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]N[5a]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2){1|C<3>,3|N<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|N<2>,3|N<3>}	124.4650	0.337	3	124.4650	0.113	3	124.6192	0.171	4	124.7669	7.820	18	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:2:3:	3:4:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[5]H)(N[5]C[5])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]H)(N[5]C[5]){2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){2|C<4>,3|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]HH){1|C<3>,1|S<2>,3|H<1>}	122.6230	0.000	1	122.6230	0.000	1	122.6230	0.000	1	122.6230	0.000	1	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5]-3:C[5a]-3:N[5]-2:	C[5]-3:N[5a]-3:N[5a]-2:	C[5]-3:O[5]-2:	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5])	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a])	N[5](C[5]C[5a]C[5])(O[5]N[5])	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]){1|N<3>,2|O<1>,3|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	121.3103	0.515	3	121.3103	0.265	3	121.3103	0.265	3	120.0362	3.261	10	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:O[5]-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a])	N[5](C[5]C[5a]C[5])(O[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<3>,1|O<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|N<2>,1|O<1>,2|C<3>}	119.8770	1.233	2	119.8770	1.521	2	119.9242	2.791	6	120.0362	3.261	10	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:O[5]-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]O[5a])	N[5](C[5]C[5a]C[5])(O[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]){1|C<3>,1|O<1>,2|N<2>,2|O<2>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]O[5a]){1|C<3>,1|N<3>,1|O<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|N<2>,1|O<1>,2|C<3>}	122.9730	0.000	1	122.9730	0.000	1	119.9242	2.791	6	120.0362	3.261	10	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:O[5]-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a])	N[5](C[5]C[5a]C[5])(O[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|N<2>,1|O<1>,2|C<3>}	118.9393	0.334	3	118.9393	0.112	3	119.9242	2.791	6	120.0362	3.261	10	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:N[5]-2:	C[5](C[5a]C[5a]S[5a])(C[5]Se[5]H)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	N[5](C[5]C[5a]C[5])(N[5]Se[5])	C[5](C[5a]C[5a]S[5a])(C[5]Se[5]H)(N[5]N[5]){1|H<1>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|Se<2>,1|N<2>,2|H<1>}	N[5](C[5]C[5a]C[5])(N[5]Se[5]){1|C<3>,1|H<1>,1|S<2>}	116.8860	0.000	1	116.8860	0.000	1	116.8860	0.000	1	120.0362	3.261	10	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]Br)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5]){2|Br<1>,1|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]Br)(N[5a]C[5a]H){2|Br<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){2|Br<1>,1|C<3>,1|N<3>}	114.0750	0.000	1	114.0750	0.000	1	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Br<1>,1|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>}	121.3620	0.000	1	121.3620	0.000	1	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	121.4640	0.000	1	121.4640	0.000	1	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.0940	0.000	1	117.8594	13.019	5	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|C<4>}	117.8007	4.164	4	117.8594	13.019	5	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])2	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5])2{2|C<3>,2|C<4>,2|N<3>}	117.8380	3.342	2	117.8380	11.168	2	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|C<4>}	122.6740	0.000	1	121.2720	3.931	2	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|C<4>}	119.8700	0.000	1	121.2720	3.931	2	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Cl)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Cl)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	121.7220	0.000	1	121.7220	0.000	1	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	122.8715	0.021	2	122.8715	0.000	2	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9655	0.375	2	121.9655	0.141	2	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	121.0310	0.000	1	121.2333	11.497	24	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	124.6650	0.000	2	121.2333	11.497	24	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	121.7545	3.405	4	121.2333	11.497	24	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	120.7189	3.540	17	121.2333	11.497	24	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C[6])	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.1510	0.000	1	123.1510	0.000	1	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H){1|Cl<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>}	120.3450	0.000	1	120.3660	0.001	2	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5]){1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H){2|O<2>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|O<2>}	120.3870	0.000	1	120.3660	0.001	2	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]C)	N[5](C[5]C[5a]C[5])(C[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]H){1|N<3>,3|C<3>}	120.3230	0.000	1	120.3230	0.000	1	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]O)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]N[5]S)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]O)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	N[5](C[5]C[5a]C[5])(C[5]N[5]S){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	127.2910	0.000	1	127.2910	0.000	1	120.8024	11.197	46	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5a]-3:C[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Zn)(C[5a]C[5a]C)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|Zn<5>,2|C<4>,3|C<3>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Zn)(C[5a]C[5a]C){2|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|C<4>}	119.9942	0.240	4	119.9942	0.058	4	120.8828	3.991	5	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5a]-3:C[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Rh)(C[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){1|Rh<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Rh)(C[5a]C[5a]H){2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	124.4370	0.000	1	124.4370	0.000	1	120.8828	3.991	5	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a,5a]-3:C[5a,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a,5a]C[5a,6a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a,5a]C[5a,6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]){1|F<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){2|C<3>,2|H<1>}	122.3080	4.302	2	122.3080	18.508	2	122.3080	18.508	2	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|H<1>,1|O<1>,4|C<3>}	125.2360	0.000	2	125.2360	0.000	2	125.2360	0.000	2	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]N[5])(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]N[5])(N[5a]C[5a]H){1|H<1>,6|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	118.6081	1.620	7	118.6081	2.626	7	118.6081	2.626	7	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a])	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|N<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	123.0260	0.132	2	123.0260	0.017	2	122.6408	2.743	5	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]){6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5]){1|O<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	122.3840	2.287	3	122.3840	5.231	3	122.6408	2.743	5	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	N[5a,6]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](N[5a,6]C[5a,6]B[6])(C[5]C[5]N[5])(C[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5]){1|B<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	125.4695	0.415	2	125.4695	0.172	2	123.0253	18.008	3	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	N[5a,6]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](N[5a,6]C[5a,6]C[6])(C[5]C[5]N[5])(C[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	118.1370	0.000	1	118.1370	0.000	1	123.0253	18.008	3	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[5]-3:N[5]-2:	N[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]C[5]C)	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	116.6520	0.000	1	116.6520	0.000	1	116.6520	0.000	1	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	125.0500	0.000	1	125.0500	0.000	1	124.6740	0.283	2	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(N[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[5]N[5]2){2|C<3>,2|N<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5]H){1|C<3>,3|N<3>}	124.2980	0.000	1	124.2980	0.000	1	124.6740	0.283	2	121.0267	10.475	73	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(C[5]N[5]CC)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]CC){1|N<3>,2|C<3>}	122.9130	0.000	1	122.9130	0.000	1	122.9130	0.000	1	123.5020	1.701	3	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5a]-3:C[5]-3:N[5]-2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	N[5](C[5]C[5a]C[5])(C[5]N[5]CC)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]CC){3|C<3>}	122.5960	0.000	1	122.5960	0.000	1	122.5960	0.000	1	123.5020	1.701	3	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5a]-3:N[5]-3:N[5]-2:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[5a]C[5a]2)(N[5]C[5]O)(N[5]C[5])	C[5a](C[5a]N[5a]H)2(C[5]N[5]2)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5a]C[5a]2)(N[5]C[5]O)(N[5]C[5]){1|N<2>,1|N<3>,2|H<1>,4|C<4>}	C[5a](C[5a]N[5a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>,2|C<4>}	124.9970	0.000	1	124.9970	0.000	1	124.9970	0.000	1	123.5020	1.701	3	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:2:3:	3:4:	C[5a]-3:C[5]-4:N[5]-2:	C[5a]-3:O[5a]-2:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]C[5])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]N[5])	N[5](C[5]C[5a]C[5])(C[5]C[5]CH)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]C[5]){1|C<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5a]C[5])(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:2:	3:2:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:O[5]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(S[5a]C[5a])	N[5](C[5]C[5a]C[5])(O[5]C[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]O[5]){2|C<3>,3|C<4>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[5a]C[5])(O[5]C[5]){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	119.8170	0.000	1	119.8170	0.000	1	121.0170	2.880	2	121.0170	2.880	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:2:	3:2:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:O[5]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	N[5](C[5]C[5a]C[5])(O[5]C[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]O[5]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[5a]C[5])(O[5]C[5]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	122.2170	0.000	1	122.2170	0.000	1	121.0170	2.880	2	121.0170	2.880	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:2:	3:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]C)(N[5a]N[5a])	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[5a]C[5])(N[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	121.3050	1.433	2	121.3050	2.052	2	122.4412	2.454	4	121.4750	4.552	10	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:2:	3:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]C)(N[5a]N[5a])	N[5](C[5]C[5a]C[5])(N[5]C[5a]C[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[5a]C[5])(N[5]C[5a]C[5]){1|S<2>,2|C<3>,2|N<2>,3|H<1>}	123.5775	0.381	2	123.5775	0.145	2	122.4412	2.454	4	121.4750	4.552	10	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:2:	3:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[5a]C[5])(N[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	122.8030	0.000	1	122.8030	0.000	1	122.3105	0.485	2	121.4750	4.552	10	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:2:	3:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	N[5](C[5]C[5a]C[5])(N[5]C[5a]C[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[5a]C[5])(N[5]C[5a]C[5]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	121.8180	0.000	1	121.8180	0.000	1	122.3105	0.485	2	121.4750	4.552	10	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:2:	3:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[5a]C[5])(N[5]C[5]C){1|S<2>,2|C<3>,3|H<1>}	122.0350	1.233	2	122.0350	1.521	2	122.0350	1.521	2	121.4750	4.552	10	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:2:	3:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	N[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	N[5](N[5]C[5,5]C[6a])(C[5]C[5a]C[5])	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(N[5]N[5]){1|H<1>,5|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<4>,3|H<1>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5a]C[5]){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	116.7880	0.000	1	116.7880	0.000	1	116.7880	0.000	1	121.4750	4.552	10	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:2:	3:3:	C[5a]-3:P[5]-4:N[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(P[5]N[5]CW)(N[5]C[5])	C[5a](C[5]N[5]P[5])(C[5a]C[5a]H)(S[5a]C[5a])	N[5](C[5]C[5a]P[5])(C[5]N[5]N)	C[5](C[5a]C[5a]S[5a])(P[5]N[5]CW)(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5]N[5]P[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|W<6>,2|H<1>}	N[5](C[5]C[5a]P[5])(C[5]N[5]N){1|C<3>,1|C<4>,1|S<2>,1|W<6>}	119.5060	0.000	1	119.5060	0.000	1	119.5060	0.000	1	121.4750	4.552	10	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:3:	3:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:N[5]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]S[5a]Cl)(C[5a]C[5a]H)	N[5](C[5]C[5a]C[5])(N[5]C[5]C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]S[5a]Cl)(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[5a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	119.7480	0.000	1	119.7480	0.000	1	119.7480	0.000	1	120.6375	1.582	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:3:	3:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|C<4>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.5270	0.000	1	121.5270	0.000	1	121.5270	0.000	1	120.6375	1.582	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:3:	3:4:	C[5a]-3:C[5]-4:N[5]-2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]N)(N[5]C[5])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	N[5](C[5]C[5a]C[5])(C[5]C[5]HH)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]N)(N[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|N<3>,2|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[5]HH){2|C<3>,2|H<1>,2|N<3>}	122.2565	0.179	2	122.2565	0.032	2	122.2565	0.032	2	122.2565	0.032	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:3:	4:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5,6]-4:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5,6])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5a]C[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5,6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<4>,4|H<1>}	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5a]C[5]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	122.8790	0.000	1	122.1795	0.979	2	122.1795	0.979	2	122.1795	0.979	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	3:4:2:	3:3:3:	4:3:	C[5a]-3:C[5]-4:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5,6]-4:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5,6])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5a]C[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5,6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<4>,4|H<1>}	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5a]C[5]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.4800	0.000	1	122.1795	0.979	2	122.1795	0.979	2	122.1795	0.979	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[5a]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(C[5a]C[5a]N[5a])(N[5]C[5,6a])	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])	C[5](C[5,6]C[5,6a]C[5,6]C[6])(C[5a]C[5a]N[5a])(N[5]C[5,6a]){1|N<3>,2|H<1>,8|C<3>}	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	121.2275	2.067	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[5a]-3:N[5]-2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]CC)(C[5a]C[5a]2)(N[5]C[5,6a])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])	C[5](C[5]C[5,6a]CC)(C[5a]C[5a]2)(N[5]C[5,6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)2{2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]){1|Cl<1>,2|C<4>,4|C<3>}	120.2110	0.000	1	120.2110	0.000	1	120.2110	0.000	1	121.2275	2.067	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5,6]-4:C[5a]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-4:	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5])	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	N[5](C[5]C[5,6]C[5a])(C[5]C[5]HH)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5]){4|C<3>,4|C<4>,4|H<1>}	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<4>,3|C<3>}	N[5](C[5]C[5,6]C[5a])(C[5]C[5]HH){2|C<3>,2|H<1>,2|N<3>}	122.4690	0.000	1	122.4690	0.000	1	122.5655	0.019	2	122.5655	0.019	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	0:SP2_SP2_SP2	C[5]	C[5a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5,6]-4:C[5a]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-4:	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5])	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	N[5](C[5]C[5,6]C[5a])(C[5]C[5]HH)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5a]C[5a]N[5a])(N[5]C[5]){2|C<4>,5|C<3>,5|H<1>}	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<4>,3|C<3>}	N[5](C[5]C[5,6]C[5a])(C[5]C[5]HH){2|C<3>,2|H<1>,2|N<3>}	122.6620	0.000	1	122.6620	0.000	1	122.5655	0.019	2	122.5655	0.019	2	121.4256	11.515	223	121.5010	11.828	226
818	727	960	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5,6,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6]-3:P[5]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5]P[5])	C[5,6,6a](C[5,6]C[6,6a]N[5])(C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])	N[5](C[5,6]C[5,6,6a]C[6,6a])(P[5]C[5,6a]CC)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5]P[5]){1|P<3>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6]C[6,6a]N[5])(C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6]){2|H<1>,3|C<3>,4|C<4>}	N[5](C[5,6]C[5,6,6a]C[6,6a])(P[5]C[5,6a]CC){4|C<3>}	115.9960	0.000	1	115.9960	0.000	1	115.9960	0.000	1	115.9960	0.000	1	115.9960	0.000	1	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	N[5](C[5]C[5,6a]Cl)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]Cl)(C[5]C[5,6a]C){2|C<3>}	115.1020	0.103	2	115.1020	0.011	2	115.1020	0.011	2	113.4653	8.041	3	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	N[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5]C[5,6a]O)2{2|C<3>}	110.1920	0.000	1	110.1920	0.000	1	110.1920	0.000	1	113.4653	8.041	3	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	N[5](C[5]C[5,6a]Cl2)(C[5]C[5,6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){2|Cl<1>,1|C<3>,2|H<1>}	N[5](C[5]C[5,6a]Cl2)(C[5]C[5,6a]Cl){2|C<3>}	116.2870	0.000	1	116.2280	0.007	2	116.2280	0.007	2	113.2408	2.988	80	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	N[5](C[5]C[5,6a]Cl2)(C[5]C[5,6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){3|Cl<1>,1|C<3>,1|H<1>}	N[5](C[5]C[5,6a]Cl2)(C[5]C[5,6a]Cl){2|C<3>}	116.1690	0.000	1	116.2280	0.007	2	116.2280	0.007	2	113.2408	2.988	80	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	114.3530	0.000	1	114.3530	0.000	1	114.3530	0.000	1	113.2408	2.988	80	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	106.3480	0.546	2	106.3480	0.298	2	106.3687	0.150	3	113.2408	2.988	80	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	N[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(O){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]O){4|C<3>}	106.4100	0.000	1	106.4100	0.000	1	106.3687	0.150	3	113.2408	2.988	80	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	N[5](S[5]C[5,6a]CO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](S[5]C[5,6a]CO)(C[5]C[5,6a]O){2|C<3>}	112.4930	0.000	1	112.4930	0.000	1	113.4237	0.993	74	113.2408	2.988	80	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O){2|C<3>}	113.4364	0.997	73	113.4364	0.994	73	113.4237	0.993	74	113.2408	2.988	80	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[5,6a]-3:N[5]-2:N-2:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)(S[5]N[5,6a])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC){1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>}	N[5](C[5]C[5,6a]N)(S[5]N[5,6a]){2|C<3>}	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]N){1|N<2>,3|C<3>}	112.0220	0.000	1	112.0220	0.000	1	109.4654	3.031	60	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	109.3678	1.912	24	109.3678	3.657	24	109.4654	3.031	60	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N){2|C<3>}	111.0313	1.982	3	111.0313	3.928	3	109.4654	3.031	60	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	110.3721	0.955	8	110.2578	0.695	11	109.4654	3.031	60	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	109.9530	0.301	3	110.2578	0.695	11	109.4654	3.031	60	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	109.9685	0.748	6	109.9685	0.560	6	109.4654	3.031	60	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[5a]){1|N<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	110.4055	0.093	2	110.4055	0.009	2	109.4654	3.031	60	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	109.9285	0.029	2	109.9285	0.001	2	109.4654	3.031	60	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	106.1662	0.291	4	107.1279	1.202	8	109.4654	3.031	60	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	108.8250	0.000	1	107.1279	1.202	8	109.4654	3.031	60	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	107.8443	0.149	3	107.1279	1.202	8	109.4654	3.031	60	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NH){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	109.2133	0.143	3	109.2133	0.020	3	109.4654	3.031	60	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(OC)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(OC){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){1|C<3>,1|N<2>}	115.3360	0.000	1	115.3360	0.000	1	115.3360	0.000	1	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(SC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(SC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]S){1|N<2>,3|C<3>}	113.6580	0.225	2	113.6580	0.051	2	113.6580	0.051	2	109.6916	3.956	63	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N){2|C<3>}	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	117.5774	3.505	21	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(OC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(OC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	117.5774	3.505	21	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O){2|C<3>}	118.5663	0.336	7	118.5663	0.113	7	118.1633	2.302	16	117.5774	3.505	21	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6]){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O){2|C<3>}	118.3440	0.016	2	118.3440	0.000	2	118.1633	2.302	16	117.5774	3.505	21	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a]){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O){2|C<3>}	119.0270	0.411	5	119.0270	0.169	5	118.1633	2.302	16	117.5774	3.505	21	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OCo)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OCo){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O){2|C<3>}	114.6380	0.000	1	114.6380	0.000	1	118.1633	2.302	16	117.5774	3.505	21	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(ONi)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(ONi){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O){2|C<3>}	114.1870	0.000	1	114.1870	0.000	1	118.1633	2.302	16	117.5774	3.505	21	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SC[5a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SC[5a]){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]S){2|C<3>}	118.0420	0.000	1	118.0420	0.000	1	116.6047	1.714	3	117.5774	3.505	21	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SPd)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SPd){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]S){2|C<3>}	115.8860	0.574	2	115.8860	0.330	2	116.6047	1.714	3	117.5774	3.505	21	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:2:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]C)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5])(CC[6a]H){1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]C){1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){1|C<3>,1|N<2>}	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:2:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]C)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCN){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<3>,1|H<1>}	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	108.0730	0.453	2	108.0730	0.205	2	108.0730	0.205	2	111.3330	7.332	6	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:2:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(NOO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]C[5,6a]N)(N[5]C[5,6a]){2|C<3>}	112.3890	0.556	3	112.3890	0.309	3	112.3890	0.309	3	111.3330	7.332	6	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:2:	C[5,6a]-3:N[5]-2:N-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC[5a]H)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)(S[5]N[5,6a])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]S[5])(NC[5a]H){1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>}	N[5](C[5]C[5,6a]N)(S[5]N[5,6a]){2|C<3>}	114.6850	0.000	1	114.6850	0.000	1	114.6850	0.000	1	111.3330	7.332	6	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]C)2{2|C<3>}	111.1400	0.000	1	111.1400	0.000	1	110.0961	1.411	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N){2|C<3>}	110.5620	0.057	2	110.5620	0.003	2	110.0961	1.411	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]C)2{2|C<3>}	110.3540	0.000	1	110.3540	0.000	1	110.0961	1.411	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]C)2{2|C<3>}	110.8390	0.244	3	110.8390	0.060	3	110.0961	1.411	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N){2|C<3>}	108.8220	0.000	1	109.3435	0.544	2	110.0961	1.411	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N){2|C<3>}	109.8650	0.000	1	109.3435	0.544	2	110.0961	1.411	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N){2|C<3>}	108.9630	0.120	2	108.9630	0.014	2	110.0961	1.411	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]C){2|C<3>,2|C<4>}	109.1555	0.118	2	109.1555	0.014	2	110.0961	1.411	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]N[6])(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5,6a]N[6])(C[5]C[5,6a]C){2|C<3>,2|C<4>}	108.9090	0.000	1	108.9090	0.000	1	110.0961	1.411	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]Cl)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CHN){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<3>,2|H<1>}	N[5](C[5]C[5,6a]Cl)(C[5]C[5,6a]C){2|C<3>}	109.6055	0.050	2	109.6055	0.003	2	110.0961	1.411	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C){1|N<2>,3|C<3>}	113.4540	0.000	1	113.4540	0.000	1	110.0961	1.411	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NCH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N){2|C<3>}	112.4063	0.432	3	112.4063	0.187	3	112.1034	0.745	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	112.2790	0.252	2	112.2790	0.063	2	112.1034	0.745	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	113.3840	0.296	2	113.3840	0.087	2	112.1034	0.745	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N){2|C<3>}	112.5040	0.000	1	112.5040	0.000	1	112.1034	0.745	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]N){1|N<2>,3|C<3>}	111.9490	0.000	1	111.9490	0.000	1	112.1034	0.745	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	112.6070	0.000	1	111.5949	0.790	8	112.1034	0.745	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](C[5]C[5,6a]N)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5,6a]N)2{2|C<3>}	111.4503	0.852	7	111.5949	0.790	8	112.1034	0.745	17	111.0997	2.083	34	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCH){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C){2|C<3>}	116.2890	0.000	1	116.2890	0.000	1	115.8978	6.649	4	116.5154	2.108	12	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCI)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCI){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C){2|C<3>}	117.4860	0.000	1	117.4860	0.000	1	115.8978	6.649	4	116.5154	2.108	12	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](S[5]C[5,6a]CO)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](S[5]C[5,6a]CO)(C[5]C[5,6a]C){2|C<3>}	112.1410	0.000	1	112.1410	0.000	1	115.8978	6.649	4	116.5154	2.108	12	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]O){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C){2|C<3>}	117.6750	0.000	1	117.6750	0.000	1	115.8978	6.649	4	116.5154	2.108	12	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N){2|C<3>}	116.6235	0.282	2	116.6235	0.080	2	116.8243	0.137	8	116.5154	2.108	12	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5]C)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5]C){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N){2|C<3>}	117.3090	0.045	2	117.3090	0.002	2	116.8243	0.137	8	116.5154	2.108	12	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5a]H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N){2|C<3>}	116.9120	0.092	2	116.9120	0.008	2	116.8243	0.137	8	116.5154	2.108	12	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N){2|C<3>}	116.4525	0.156	2	116.4525	0.024	2	116.8243	0.137	8	116.5154	2.108	12	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:2:4:	3:3:3:	4:3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C){2|C<3>}	116.5120	0.000	1	116.5120	0.000	1	116.5120	0.000	1	116.5120	0.000	1	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-2:	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]S[5])	C[5,6a](N[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5]C[5,6a]C[6a])(S[5]N[5,6a])	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]S[5]){2|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]C[6a])(S[5]N[5,6a]){1|N<2>,3|C<3>}	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5,6a]C)2{2|C<3>}	108.4610	0.000	1	108.4610	0.000	1	107.9665	0.489	2	110.2386	4.074	14	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]N){2|C<3>}	107.4720	0.000	1	107.4720	0.000	1	107.9665	0.489	2	110.2386	4.074	14	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(CC[5a]C[6a])(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]C)	N[5](C[5]C[5,6a]C)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(CC[5a]C[6a])(N[5]C[5]){4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]C){1|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C)2{2|C<3>}	109.2560	0.175	2	109.2560	0.031	2	109.2560	0.031	2	110.2386	4.074	14	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]N){1|N<2>,3|C<3>}	109.4300	0.000	1	109.4025	0.002	2	109.6185	0.071	4	110.2386	4.074	14	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]N){1|N<2>,3|C<3>}	109.3750	0.000	1	109.4025	0.002	2	109.6185	0.071	4	110.2386	4.074	14	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]S){1|N<2>,3|C<3>}	109.8345	0.159	2	109.8345	0.025	2	109.6185	0.071	4	110.2386	4.074	14	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N[5])	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|N<2>,4|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C){1|N<2>,3|C<3>}	109.3175	0.869	2	109.3175	0.755	2	109.3175	0.755	2	110.2386	4.074	14	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]O){4|C<3>}	115.1570	0.000	1	115.1570	0.000	1	115.1570	0.000	1	110.2386	4.074	14	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(N[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]C){2|C<3>,2|C<4>}	112.1810	0.369	2	112.1810	0.136	2	112.1810	0.136	2	110.2386	4.074	14	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[6]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]N[6])(C[6a]C[6a]H)	N[5](C[5]C[5,6a]N[6])(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[6]C[6]2)(N[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]N[6])(C[5]C[5,6a]C){2|C<3>,2|C<4>}	112.2670	0.000	1	112.2670	0.000	1	112.2670	0.000	1	110.2386	4.074	14	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[5,6a]C[5])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(N[5]S[5]){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6a]C[5])(S[5]C[5,6a]OO){1|C<4>,3|C<3>}	114.7110	0.000	1	114.7110	0.000	1	114.7110	0.000	1	115.8130	1.466	3	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO){4|C<3>}	117.1090	0.000	1	116.3640	1.110	2	116.3640	1.110	2	115.8130	1.466	3	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO){4|C<3>}	115.6190	0.000	1	116.3640	1.110	2	116.3640	1.110	2	115.8130	1.466	3	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6]){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	113.2440	0.000	2	113.2440	0.000	2	113.3465	0.014	4	114.9383	6.097	6	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6])	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6]){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	113.4490	0.000	2	113.4490	0.000	2	113.3465	0.014	4	114.9383	6.097	6	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:N-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(NC[6a]C[5])(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(NC[6a]C[5])(N[5]S[5]){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N){2|C<3>}	118.1220	0.184	2	118.1220	0.034	2	118.1220	0.034	2	114.9383	6.097	6	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-4:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[5,6a]C[5])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]){2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[5]C[5,6a]C[5])(S[5]C[5,6a]OO){1|H<1>,2|C<3>,2|C<4>}	116.1940	0.000	1	116.1940	0.000	1	116.4815	0.165	2	116.2907	0.192	3	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-4:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[5,6a]C[5])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(N[5]S[5]){2|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[5]C[5,6a]C[5])(S[5]C[5,6a]OO){1|H<1>,2|C<3>,2|C<4>}	116.7690	0.000	1	116.7690	0.000	1	116.4815	0.165	2	116.2907	0.192	3	112.4646	9.510	249	112.4787	9.521	250
818	727	960	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[5,6a]-3:C[6]-4:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	N[5](C[5]C[5,6a]C[6])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]S[5]){1|O<2>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[5]C[5,6a]C[6])(S[5]C[5,6a]OO){1|H<1>,2|C<3>,2|C<4>}	115.9090	0.000	1	115.9090	0.000	1	115.9090	0.000	1	116.2907	0.192	3	112.4646	9.510	249	112.4787	9.521	250
818	727	975	0:SP2_SP2_SP3	C[5,6]	C[5,6a]	Se[6]	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6]-3:Se[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:Se[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[5])(Se[6]Se[6])	C[5,6a](C[5,6]C[5,6]Se[6])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	Se[6](C[5,6]C[5,6a]C[5,6])(Se[6]C[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[5])(Se[6]Se[6]){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]Se[6])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	Se[6](C[5,6]C[5,6a]C[5,6])(Se[6]C[5,6]){1|Se<2>,4|C<3>}	122.6260	1.211	2	122.6260	1.465	2	122.6260	1.465	2	122.6260	1.465	2	122.6260	1.465	2	122.6260	1.465	2
818	727	976	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:N[5,5]-3:O[5]-2:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])(C[6a]C[6a]H)	O[5](C[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5]){2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,6a]N[5,5])(C[5]C[5]HH){1|Se<2>,2|C<3>,2|H<1>}	126.0780	0.135	3	126.0780	0.018	3	126.0780	0.018	3	126.6423	1.286	4	126.6423	1.286	4	117.5327	24.680	21
818	727	976	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:N[5,5]-3:O[5]-2:	C[6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])	O[5](C[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5]){1|H<1>,2|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]N[5,5])(C[5]C[5]HH){1|Se<2>,2|C<3>,2|C<4>}	128.3350	0.000	1	128.3350	0.000	1	128.3350	0.000	1	126.6423	1.286	4	126.6423	1.286	4	117.5327	24.680	21
818	727	976	0:SP2_SP2_SP2	C[5]	C[5a]	O[5]	3:2:2:	3:3:2:	3:3:	C[5a]-3:N[5]-2:O[5]-2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]N[5])(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]N[5a]N)(N[5a]O[5a])	O[5](C[5]C[5a]N[5])(C[5]N[5]N)	C[5](C[5a]C[5a]N[5a])(N[5]N[5])(O[5]C[5]){1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[5a](C[5]N[5]O[5])(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<3>}	O[5](C[5]C[5a]N[5])(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>}	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	116.3007	11.007	3	115.3892	4.981	17	117.5327	24.680	21
818	727	976	0:SP2_SP2_SP2	C[5]	C[5a]	O[5]	3:2:2:	3:3:2:	3:3:	C[5a]-3:N[5]-2:O[5]-2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]C[5])(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5](C[5]C[5a]N[5])(C[5]C[5]O)	C[5](C[5a]C[5a]O[5a])(N[5]C[5])(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	O[5](C[5]C[5a]N[5])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>}	112.5660	0.000	1	112.5660	0.000	1	114.9975	11.824	2	116.3007	11.007	3	115.3892	4.981	17	117.5327	24.680	21
818	727	976	0:SP2_SP2_SP2	C[5]	C[5a]	O[5]	3:2:2:	3:3:2:	3:3:	C[5a]-3:N[5]-2:O[5]-2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]N[5])(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5](C[5]C[5a]N[5])(C[5]N[5]S)	C[5](C[5a]C[5a]O[5a])(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	O[5](C[5]C[5a]N[5])(C[5]N[5]S){1|C<3>,1|H<1>,1|O<2>}	117.4290	0.000	1	117.4290	0.000	1	114.9975	11.824	2	116.3007	11.007	3	115.3892	4.981	17	117.5327	24.680	21
818	727	976	0:SP2_SP2_SP2	C[5]	C[5a]	O[5]	3:2:2:	3:3:3:	3:3:	C[5a]-3:C[5]-2:O[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5])(O[5]C[5])	C[5a](C[5]C[5]O[5])(C[5a]N[5a]C)(N[5a]N[5a]H)	O[5](C[5]C[5a]C[5])(C[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5])(O[5]C[5]){1|C<2>,2|N<2>,3|H<1>}	C[5a](C[5]C[5]O[5])(C[5a]N[5a]C)(N[5a]N[5a]H){2|C<3>}	O[5](C[5]C[5a]C[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|N<3>}	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	115.3892	4.981	17	117.5327	24.680	21
818	727	976	0:SP2_SP2_SP2	C[5]	C[5a]	O[5]	3:2:3:	3:3:2:	3:4:	C[5a]-3:O[5]-2:C[5]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:C[5,5]-4:	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(C[5]C[5]C)	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5](C[5]C[5a]C[5])(C[5,5]C[5]3)	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5]C[5a]C[5])(C[5,5]C[5]3){1|C<3>,1|H<1>,2|C<4>,2|O<1>,3|O<2>}	112.2670	0.709	2	112.2670	0.502	2	112.2670	0.502	2	112.2670	0.502	2	115.3892	4.981	17	117.5327	24.680	21
818	727	976	0:SP2_SP2_SP2	C[5]	C[5a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5a]-3:N[5]-3:O[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[5]Pd)(O[5]C[5])	C[5a](C[5]N[5]O[5])(C[5a]C[5a]P)(S[5a]C[5a])	O[5](C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]Pd)(O[5]C[5]){1|H<1>,1|P<4>,2|C<3>,3|C<4>}	C[5a](C[5]N[5]O[5])(C[5a]C[5a]P)(S[5a]C[5a]){1|Pd<4>,2|C<4>,2|H<1>}	O[5](C[5]C[5a]N[5])(C[5]C[5]CC){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	115.4410	0.000	1	115.4410	0.000	1	115.4410	0.000	1	116.7475	3.414	2	115.3892	4.981	17	117.5327	24.680	21
818	727	976	0:SP2_SP2_SP2	C[5]	C[5a]	O[5]	3:3:2:	3:3:2:	3:4:	N[5,6]-3:C[5a]-3:O[5]-2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:B[5]-4:	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]O[5a])(O[5]B[5])	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	O[5](C[5]N[5,6]C[5a])(B[5]N[5,6]FF)	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]O[5a])(O[5]B[5]){1|H<1>,1|N<3>,3|C<3>,4|F<1>}	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|B<4>,2|H<1>}	O[5](C[5]N[5,6]C[5a])(B[5]N[5,6]FF){1|B<4>,1|O<2>,2|C<3>}	118.0540	0.000	1	118.0540	0.000	1	118.0540	0.000	1	116.7475	3.414	2	115.3892	4.981	17	117.5327	24.680	21
818	727	976	0:SP2_SP2_SP2	C[5]	C[5a]	O[5]	3:3:2:	3:3:2:	4:3:	C[5]-3:C[5a]-3:O[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[4,5,6]-4:C[5]-3:	C[5](C[5]C[4,5,6]C[6a])(C[5a]C[5a]S[5a])(O[5]C[4,5,6])	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	O[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[5a]C[5])	C[5](C[5]C[4,5,6]C[6a])(C[5a]C[5a]S[5a])(O[5]C[4,5,6]){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	O[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[5a]C[5]){1|C<4>,1|O<2>,1|S<2>,3|H<1>,4|C<3>}	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	115.3892	4.981	17	117.5327	24.680	21
818	727	976	0:SP2_SP2_SP2	C[5]	C[5a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[5a]-3:O[5]-2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5]-3:	C[5](C[5]C[5,6]H)(C[5a]C[5a]2)(O[5]C[5])	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(C[5a]O[5a]H)	O[5](C[5]C[5a]C[5])(C[5]C[5,6]O)	C[5](C[5]C[5,6]H)(C[5a]C[5a]2)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,2|H<1>}	O[5](C[5]C[5a]C[5])(C[5]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	114.2620	0.000	1	114.2620	0.000	1	114.2620	0.000	1	114.2620	0.000	1	115.3892	4.981	17	117.5327	24.680	21
818	727	976	0:SP2_SP2_SP2	C[5]	C[5a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5a]-3:C[5]-3:O[5]-2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(O[5]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5])(C[5a]N[5a]H)	O[5](C[5]C[5a]C[5])(C[5]C[5]CH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(O[5]C[5]){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5])(C[5a]N[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5a]C[5])(C[5]C[5]CH){1|C<2>,1|H<1>,3|C<3>}	115.0774	0.136	5	115.0774	0.018	5	115.0774	0.018	5	115.5894	0.837	7	115.3892	4.981	17	117.5327	24.680	21
818	727	976	0:SP2_SP2_SP2	C[5]	C[5a]	O[5]	3:3:2:	3:3:3:	3:4:	N[5,6]-3:C[5a]-3:O[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:B[5]-4:	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]N[5a])(O[5]B[5])	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	O[5](C[5]N[5,6]C[5a])(B[5]N[5,6]FF)	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]N[5a])(O[5]B[5]){1|N<3>,2|H<1>,3|C<3>,4|F<1>}	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,2|B<4>,2|H<1>}	O[5](C[5]N[5,6]C[5a])(B[5]N[5,6]FF){1|B<4>,1|N<3>,2|C<3>}	116.8695	0.599	2	116.8695	0.359	2	116.8695	0.359	2	115.5894	0.837	7	115.3892	4.981	17	117.5327	24.680	21
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,5a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5,6])(O)	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5a]C[6a]S[5a])(C[5]O[5]O)	O[5](C[5,6]C[5,5a]C[6]2)(C[5]C[5,5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5,6])(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5a]C[6a]S[5a])(C[5]O[5]O){2|C<3>,2|C<4>}	O[5](C[5,6]C[5,5a]C[6]2)(C[5]C[5,5a]O){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	107.1900	0.000	1	107.1900	0.000	1	107.1900	0.000	1	107.1017	0.195	6	108.9139	15.478	10	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,5a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,5a]-3:O[5]-2:O-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]O[5]O)	O[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(O){1|S<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O){2|C<3>}	107.5005	0.432	2	107.5005	0.187	2	107.5005	0.187	2	107.1017	0.195	6	108.9139	15.478	10	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,5a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,5a]-3:O[5]-2:O-1:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,5a]C[5a,5a]C[5,5a])(O[5]C[5])(O)	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)	C[5](C[5,5a]C[5a,5a]C[5,5a])(O[5]C[5])(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){2|H<1>,3|C<3>}	O[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O){2|C<3>}	106.7050	0.000	1	106.7050	0.000	1	106.7050	0.000	1	107.1017	0.195	6	108.9139	15.478	10	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,5a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,5a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O)	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O){2|C<3>}	107.1630	0.000	1	107.1630	0.000	1	107.1630	0.000	1	107.1017	0.195	6	108.9139	15.478	10	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,5a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,5a]-3:O[5]-2:O-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]O)	O[5](C[5]N[5,5a]CH)(C[5]C[5,5a]O)	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]O){1|C<4>,3|H<1>}	O[5](C[5]N[5,5a]CH)(C[5]C[5,5a]O){2|C<3>}	106.5510	0.000	1	106.5510	0.000	1	106.5510	0.000	1	107.1017	0.195	6	108.9139	15.478	10	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,5a]	O[5]	3:2:2:	3:3:3:	4:3:	C[5,5a]-3:O[5]-2:N-2:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(O[5]C[5])(NC)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]C)(C[5]O[5]N)	O[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)	C[5](C[5,5a]C[5,5a]N[5a])(O[5]C[5])(NC){1|C<4>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]C)(C[5]O[5]N){1|C<3>,1|N<3>,2|H<1>}	O[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N){1|C<3>,1|N<3>}	105.3050	0.000	1	105.3050	0.000	1	105.3050	0.000	1	105.3050	0.000	1	108.9139	15.478	10	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,5a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,5a]-3:C[6a]-3:O[5]-2:	N[5,5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]O[5])	O[5](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,6|C<3>}	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]O[5]){1|H<1>,6|C<3>}	O[5](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]){1|H<1>,5|C<3>}	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	108.9139	15.478	10	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,5a]	O[5]	3:3:2:	3:3:3:	6:3:	C[5,5a]-3:C[6a]-3:O[5]-2:	N[5,5a]-3:C[5]-3:C[5a]-3:	Si[5,5]-6:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O[5]Si[5,5])	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]C[6a]O[5])(C[5a]C[5a]C)	O[5](Si[5,5]N[5,5a]2O[5]NN)(C[5]C[5,5a]C[6a])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O[5]Si[5,5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>,4|C<3>}	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]C[6a]O[5])(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	O[5](Si[5,5]N[5,5a]2O[5]NN)(C[5]C[5,5a]C[6a]){7|C<3>}	116.1775	0.265	2	116.1775	0.070	2	116.1775	0.070	2	116.1775	0.070	2	108.9139	15.478	10	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:2:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]O){2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<3>,1|N<2>}	107.3485	0.380	2	107.3485	0.144	2	107.3485	0.144	2	106.9375	0.308	4	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:2:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O){1|C<4>,1|H<1>,3|C<3>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){1|C<3>,1|O<2>}	106.7550	0.000	1	106.7550	0.000	1	106.5265	0.104	2	106.9375	0.308	4	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:2:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(O[6a]C[6a,6a])(C[5]O[5]O){2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<3>,1|O<2>}	106.2980	0.000	1	106.2980	0.000	1	106.5265	0.104	2	106.9375	0.308	4	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	O[5](B[5]C[5,6a]O)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){1|C<3>,1|O<2>,2|H<1>}	O[5](B[5]C[5,6a]O)(C[5]C[5,6a]H){2|C<3>}	105.8335	0.286	2	105.8335	0.082	2	105.8335	0.082	2	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	I[5,5]-3:C[5]-3:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(O)	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>}	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]O){3|C<3>}	114.2200	1.639	2	114.2200	2.687	2	114.2200	2.687	2	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]O[5]O)	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O){1|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]O[5]O){1|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,3|C<3>}	108.0070	0.000	1	108.0070	0.000	1	108.0685	0.008	2	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,3|C<3>}	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O){1|O<2>,3|C<3>}	108.1300	0.000	1	108.1300	0.000	1	108.0685	0.008	2	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	107.5238	0.389	4	107.5238	0.151	4	107.5238	0.151	4	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	As[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5])(O)	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](As[5]C[5,6a]O)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5])(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	O[5](As[5]C[5,6a]O)(C[5]C[5,6a]O){2|C<3>}	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	107.4810	0.000	1	107.4810	0.000	1	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	107.1600	0.325	7	107.1600	0.105	7	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	106.8445	0.433	2	107.0012	0.113	4	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	107.1580	0.228	2	107.0012	0.113	4	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	107.4160	0.115	2	107.4160	0.013	2	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Br<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O){2|Br<1>,1|C<3>,1|O<1>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	106.7189	0.356	16	106.7189	0.126	16	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	107.3030	0.000	1	107.3030	0.000	1	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	106.9135	0.197	2	106.9135	0.039	2	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|H<1>,2|C<3>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	106.9670	0.000	1	107.1983	0.096	11	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	107.2214	0.316	10	107.1983	0.096	11	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O){4|C<3>}	106.4400	0.000	1	106.7655	0.212	2	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O){2|C<3>,2|C<4>}	107.0910	0.000	1	106.7655	0.212	2	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<2>,2|H<1>}	O[5](C[5]C[5,6a]N)(C[5]C[5,6a]O){2|C<3>}	106.7640	0.000	1	106.7640	0.000	1	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	106.8070	0.081	2	107.2973	0.142	16	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	107.4310	0.436	5	107.2973	0.142	16	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	107.0520	0.171	2	107.2973	0.142	16	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	107.4210	0.408	4	107.2973	0.142	16	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	107.4000	0.162	3	107.2973	0.142	16	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	107.3895	0.081	2	107.3895	0.007	2	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	106.6660	0.000	1	106.6660	0.000	1	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O){2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	106.8630	0.000	1	106.8630	0.000	1	107.0688	0.159	67	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:I[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<2>,1|C<3>,2|H<1>}	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]C){2|C<3>}	114.2510	0.000	1	114.2510	0.000	1	114.3035	0.006	2	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:I[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]O){2|C<3>}	114.3560	0.000	1	114.3560	0.000	1	114.3035	0.006	2	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|O<1>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]O)2{2|C<3>}	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.5212	3.058	81	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){1|H<1>,4|C<3>}	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H){6|C<3>}	116.0310	0.000	1	115.7813	0.048	3	115.7813	0.048	3	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){2|H<1>,3|C<3>}	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H){6|C<3>}	115.6565	0.057	2	115.7813	0.048	3	115.7813	0.048	3	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:N-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(N)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]N)	O[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(N){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,2|H<1>,2|O<1>}	O[5](S[5]C[5,6a]OO)(C[5]C[5,6a]N){2|C<3>}	109.2500	0.000	2	109.2500	0.000	2	109.2500	0.000	2	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	Se[5,5]-4:C[5]-3:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(O)	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](Se[5,5]C[5,5,6a]C[6a]O[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|O<2>,3|C<3>}	O[5](Se[5,5]C[5,5,6a]C[6a]O[5])(C[5]C[5,6a]O){5|C<3>}	111.9530	0.404	2	111.9530	0.164	2	111.9530	0.164	2	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(C[5]O[5]O)	O[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,2|C<3>,2|H<1>}	109.3860	0.000	1	109.3860	0.000	1	108.6093	0.628	3	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O){1|C<4>,2|C<3>,2|H<1>}	107.8020	0.000	1	107.8020	0.000	1	108.6093	0.628	3	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	108.6400	0.000	1	108.6400	0.000	1	108.6093	0.628	3	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O){1|C<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<2>,1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	107.9470	0.000	1	107.9470	0.000	1	108.2277	0.104	3	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]2)(O[5]C[5])(O){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O){4|C<3>}	108.3680	0.300	2	108.3680	0.090	2	108.2277	0.104	3	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[4,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[4,5]C[4,6a]C[5,6a]C[4])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O[5](C[4,5]C[4,6a]C[5,6a]C[4])(C[5]C[5,6a]O){2|C<4>,4|C<3>}	108.0070	0.000	1	108.0070	0.000	1	107.9315	0.011	2	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[4,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[4,5]C[5,6a]C[4,5]C[4])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O[5](C[4,5]C[5,6a]C[4,5]C[4])(C[5]C[5,6a]O){1|O<2>,5|C<3>}	107.8560	0.000	1	107.8560	0.000	1	107.9315	0.011	2	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O){1|I<1>,5|C<3>}	107.6710	0.000	1	107.6710	0.000	1	107.8670	0.161	10	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	108.0170	0.000	1	107.8075	0.088	2	107.8670	0.161	10	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|N<3>,2|C<3>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,4|C<3>}	107.5980	0.000	1	107.8075	0.088	2	107.8670	0.161	10	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O){1|C<4>,1|H<1>,4|C<3>}	107.2570	0.000	1	107.8245	0.196	6	107.8670	0.161	10	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.2980	0.147	2	107.8245	0.196	6	107.8670	0.161	10	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O){2|Cl<1>,2|C<3>,2|C<4>}	107.4010	0.000	1	107.8245	0.196	6	107.8670	0.161	10	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O){1|H<1>,2|C<4>,3|C<3>}	107.9040	0.000	1	107.8245	0.196	6	107.8670	0.161	10	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O){5|C<3>}	107.7890	0.000	1	107.8245	0.196	6	107.8670	0.161	10	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]O[5]O)	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(O){1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	108.4370	0.000	1	108.4370	0.000	1	107.8670	0.161	10	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]O[5]O)	O[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]O[5]O){2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]O){1|O<1>,5|C<3>}	107.8530	0.000	1	107.8530	0.000	1	108.5353	0.434	52	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	108.2720	0.000	1	108.5639	0.420	44	108.5353	0.434	52	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	108.5693	0.662	42	108.5639	0.420	44	108.5353	0.434	52	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|O<2>,3|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	108.6300	0.000	1	108.5639	0.420	44	108.5353	0.434	52	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O){2|C<3>,2|C<4>,4|H<1>}	108.2760	0.048	2	108.0992	0.059	4	108.5353	0.434	52	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	107.9225	0.220	2	108.0992	0.059	4	108.5353	0.434	52	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]O){2|Cl<1>,2|C<3>,2|C<4>}	107.8620	0.000	1	107.8620	0.000	1	108.5353	0.434	52	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]O[5]O)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]O[5]O){2|H<1>,3|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	109.9570	0.000	1	109.9570	0.000	1	108.5353	0.434	52	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[5]O[5]O)	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(O){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[5]O[5]O){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	O[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	108.9540	0.000	1	108.9540	0.000	1	108.5353	0.434	52	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|H<1>,2|O<2>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	107.8010	0.000	1	107.8010	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O){2|C<3>}	108.3240	0.000	1	108.7250	0.322	2	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|O<2>}	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O){2|C<3>}	109.1260	0.000	1	108.7250	0.322	2	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]C)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]C)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.6610	0.000	1	108.6610	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]O){4|C<3>}	107.5470	0.000	1	107.5470	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.0230	0.000	1	108.0230	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.0910	0.000	1	108.0910	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.8705	0.421	6	108.8705	0.177	6	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]O)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O){2|C<3>}	107.0540	0.000	1	107.0540	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	107.2720	0.000	1	107.2720	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O){2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	107.5850	0.000	1	107.5850	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	108.3040	0.000	1	108.3040	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	107.9750	0.106	2	107.9750	0.011	2	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.0670	0.000	1	108.0670	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.2030	0.000	1	108.2030	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Br<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	107.3940	0.000	1	107.3940	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.6030	0.000	1	108.6030	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.0090	0.000	1	108.0090	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	108.0407	0.502	6	108.1038	0.132	12	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	108.1577	0.216	4	108.1038	0.132	12	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	108.1855	0.023	2	108.1038	0.132	12	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	107.9600	0.137	2	108.3085	0.136	11	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.3859	0.362	9	108.3085	0.136	11	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O){2|C<3>}	108.8390	0.221	2	108.8390	0.049	2	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O){4|C<3>}	108.8530	0.000	1	108.8530	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O){1|Fe<10>,2|C<3>,2|C<4>}	108.2120	0.000	1	108.2120	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	O[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O){1|N<2>,3|C<3>}	108.4630	0.000	1	108.8303	0.121	3	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	O[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O){4|C<3>}	109.0140	0.197	2	108.8303	0.121	3	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|F<1>,3|C<3>}	108.2380	0.000	1	108.2380	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O){6|C<3>}	108.5468	0.417	6	108.5468	0.174	6	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O){4|C<3>}	108.4540	0.451	2	108.3070	0.167	3	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|O<2>,3|C<3>}	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O){4|C<3>}	108.0130	0.000	1	108.3070	0.167	3	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	108.4502	0.461	9	108.4502	0.213	9	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]O){4|C<3>}	108.5080	0.000	1	108.5080	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O){4|C<3>}	108.3670	0.000	1	108.3670	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]ClH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,3|H<1>}	O[5](C[5]C[5,6a]ClH)(C[5]C[5,6a]O){2|C<3>}	107.5120	0.000	1	107.5120	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Br<1>,1|C<3>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.9990	0.366	2	108.4054	0.142	13	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	107.8200	0.000	1	108.4054	0.142	13	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.3617	0.280	3	108.4054	0.142	13	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	107.9590	0.000	1	108.4054	0.142	13	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.4013	0.177	6	108.4054	0.142	13	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<2>,3|H<1>}	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O){2|C<3>}	107.4220	0.000	1	108.7389	0.181	37	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O){2|C<3>}	108.7754	0.368	36	108.7389	0.181	37	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O){2|C<3>}	108.4198	0.538	6	108.4198	0.289	6	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]O){1|C<4>,3|C<3>}	108.2920	0.150	2	108.2920	0.022	2	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]O){4|C<3>}	108.0860	0.000	1	108.0860	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]O){2|C<3>,2|C<4>}	108.6587	0.127	4	108.6587	0.016	4	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]N[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	O[5](C[5]C[5,6a]N[6a]H)(C[5]C[5,6a]O){1|N<2>,3|C<3>}	108.3490	0.000	1	108.3490	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	108.3755	0.469	2	108.3755	0.220	2	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.7330	0.000	1	108.7795	0.004	2	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.8260	0.000	1	108.7795	0.004	2	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	108.2670	0.000	1	108.2670	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.1670	0.000	1	107.9939	0.426	8	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	107.4360	0.552	2	107.9939	0.426	8	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.6520	0.227	3	107.9939	0.426	8	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,4|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	107.4780	0.304	2	107.9939	0.426	8	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O){2|C<3>}	107.5860	0.000	1	107.5860	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	107.9870	0.000	1	107.9870	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O)	O[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]O)(C[5]O[5]O){1|C<3>,1|H<1>,2|C<4>}	O[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.3700	0.000	1	107.3700	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){1|C<3>,1|N<2>}	107.4160	0.000	1	107.4160	0.000	1	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,3|C<4>}	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){1|C<3>,1|O<2>}	108.2535	0.006	2	108.2535	0.000	2	108.4035	0.260	159	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(O)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	O[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]O[5]O){2|H<1>,2|N<3>,3|C<3>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.2010	0.055	2	108.2010	0.003	2	108.2089	0.045	7	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.1090	0.051	2	108.1090	0.003	2	108.2089	0.045	7	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.6680	0.000	1	108.2807	0.114	3	108.2089	0.045	7	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(O){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|S<2>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.0870	0.061	2	108.2807	0.114	3	108.2089	0.045	7	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O)	C[5,6a](C[6,6a]C[6,6a]C[4,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[4,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	109.5680	0.000	1	109.5680	0.000	1	109.3070	0.136	2	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O)	C[5,6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	109.0460	0.000	1	109.0460	0.000	1	109.3070	0.136	2	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){1|C<3>,1|O<2>}	108.5870	0.000	1	108.5870	0.000	1	108.3077	0.121	7	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.6330	0.000	1	108.2615	0.210	4	108.3077	0.121	7	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<2>,3|C<3>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	107.6910	0.000	1	108.2615	0.210	4	108.3077	0.121	7	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,3|C<3>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.6320	0.000	1	108.2615	0.210	4	108.3077	0.121	7	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){3|H<1>,4|C<3>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.0900	0.000	1	108.2615	0.210	4	108.3077	0.121	7	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O){1|H<1>,2|C<4>,3|C<3>}	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){1|C<3>,1|O<2>}	108.2170	0.000	1	108.2170	0.000	1	108.3077	0.121	7	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]O[6a]C[5])(C[5]O[5]O){3|C<3>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<3>,1|O<2>}	108.3040	0.000	1	108.3040	0.000	1	108.3077	0.121	7	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,3|C<3>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.9150	0.000	1	108.9150	0.000	1	108.6205	0.060	4	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){2|H<1>,3|C<3>}	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]O[5]O){1|N<3>,3|C<3>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){2|C<3>}	108.3150	0.000	1	108.3150	0.000	1	108.6205	0.060	4	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:O-1:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]O)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]O[5]O){2|H<1>,4|C<3>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<3>,1|N<2>}	108.6260	0.000	2	108.6260	0.000	2	108.6205	0.060	4	108.5409	1.051	257	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	5:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	I[5]-5:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](I[5]C[5,6a]O3)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|H<1>,2|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|H<1>,3|O<2>}	O[5](I[5]C[5,6a]O3)(C[5]C[5,6a]O){2|C<3>}	113.5440	0.000	1	113.5440	0.000	1	113.5440	0.000	1	111.2470	1.350	7	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	5:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5,5]-5:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](P[5,5]C[5,6a]2C[6a]O[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	O[5](P[5,5]C[5,6a]2C[6a]O[5])(C[5]C[5,6a]O){7|C<3>}	110.8642	0.623	6	110.8642	0.389	6	110.8642	0.389	6	111.2470	1.350	7	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:1:	3:3:3:	6:3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[3x5]-6:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[3x5])(O)	C[5,6a](C[5,6a]P[3x5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	O[5](P[3x5]C[5,6a]3O[5]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[3x5])(O){1|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]P[3x5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,2|O<2>,3|C<3>}	O[5](P[3x5]C[5,6a]3O[5]2)(C[5]C[5,6a]O){8|C<3>}	112.4440	0.582	6	112.4440	0.339	6	112.4440	0.339	6	112.4440	0.339	6	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	O[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NN){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6a]N)(C[5]C[5,6a]O){2|C<3>}	109.0190	0.000	1	109.0190	0.000	1	109.0190	0.000	1	109.3357	0.079	3	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]N)	O[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,2|H<1>}	O[5](C[5]C[5,6a]N)(N[5]C[5,6a]C){2|C<3>}	109.4940	0.086	2	109.4940	0.007	2	109.4940	0.007	2	109.3357	0.079	3	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N){2|C<3>}	107.1000	0.000	1	107.1000	0.000	1	108.7460	1.234	6	108.7460	1.234	6	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]N){2|C<3>}	108.0420	0.000	1	108.0420	0.000	1	108.7460	1.234	6	108.7460	1.234	6	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NC[6a]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N){2|C<3>}	108.5300	0.000	1	108.5300	0.000	1	108.7460	1.234	6	108.7460	1.234	6	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NS){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,3|H<1>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N){2|C<3>}	109.6013	0.602	3	109.6013	0.363	3	108.7460	1.234	6	108.7460	1.234	6	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:2:3:	4:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]C)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]O[5]C){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C){1|C<3>,1|N<2>}	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	107.8525	0.071	2	107.8525	0.005	2	107.4088	0.559	13	107.4088	0.559	13	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	108.0500	0.000	1	107.6107	0.148	3	107.4088	0.559	13	107.4088	0.559	13	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	107.4480	0.000	1	107.6107	0.148	3	107.4088	0.559	13	107.4088	0.559	13	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|H<1>,1|O<1>,2|C<3>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	107.3340	0.000	1	107.6107	0.148	3	107.4088	0.559	13	107.4088	0.559	13	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCI)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCI){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	106.4050	0.000	1	106.4050	0.000	1	107.4088	0.559	13	107.4088	0.559	13	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<4>,1|N<3>,2|O<1>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	108.3840	0.000	1	108.3840	0.000	1	107.4088	0.559	13	107.4088	0.559	13	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]C){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	106.3565	0.385	2	106.3565	0.149	2	107.4088	0.559	13	107.4088	0.559	13	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	107.4985	0.108	2	107.4985	0.012	2	107.4088	0.559	13	107.4088	0.559	13	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	108.4850	0.000	1	108.4850	0.000	1	107.4088	0.559	13	107.4088	0.559	13	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSiH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSiH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	106.7930	0.000	1	106.7930	0.000	1	107.4088	0.559	13	107.4088	0.559	13	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,4|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C){2|C<3>}	108.8940	0.000	1	108.8940	0.000	1	108.1820	0.305	5	108.9478	0.701	11	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]2){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|O<2>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]C){2|C<3>}	107.3560	0.000	1	107.3560	0.000	1	108.1820	0.305	5	108.9478	0.701	11	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C){2|C<3>}	108.2660	0.122	2	108.2660	0.015	2	108.1820	0.305	5	108.9478	0.701	11	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]I){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C){2|C<3>}	108.1280	0.000	1	108.1280	0.000	1	108.1820	0.305	5	108.9478	0.701	11	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:3:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NPdC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NPdC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]N){6|C<3>}	109.5860	0.286	6	109.5860	0.082	6	109.5860	0.082	6	108.9478	0.701	11	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:2:4:	3:3:3:	4:3:	C[5,6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]C)	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]C){1|H<1>,1|N<3>,3|C<3>}	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C){6|C<3>}	113.6730	0.000	1	113.6730	0.000	1	113.6730	0.000	1	113.6730	0.000	1	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O){2|C<3>,2|C<4>}	106.8250	0.000	1	106.8985	0.011	2	106.8985	0.011	2	110.0957	30.671	3	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O){4|C<3>}	106.9720	0.000	1	106.8985	0.011	2	106.8985	0.011	2	110.0957	30.671	3	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:I[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]I[5])	C[5,6a](C[5,6a]C[6a]I[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[5,6a]N[5])(I[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]I[5]){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]I[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5]C[5,6a]N[5])(I[5]C[5,6a]O){2|C<3>,2|C<4>}	116.4900	0.000	1	116.4900	0.000	1	116.4900	0.000	1	110.0957	30.671	3	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(O[5]C[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH){4|C<3>}	108.2920	0.000	1	108.2920	0.000	1	108.2920	0.000	1	108.2920	0.000	1	108.4321	2.272	395	108.4440	2.566	405
818	727	976	5:SP2_SP2_SP2	C[5]	C[5,6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:N-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(NC[6a]Fe)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]N)	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(NC[6a]Fe)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]O[5]N){1|C<4>,1|N<2>,3|H<1>}	O[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N){2|C<3>}	109.9660	0.000	1	109.9660	0.000	1	109.9660	0.000	1	109.9660	0.000	1	108.4321	2.272	395	108.4440	2.566	405
818	727	977	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	S	3:2:1:	3:3:3:	3:	C[5,5a]-3:S[5]-2:S-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(S[5]P[5])(S)	C[5,5a](N[5,5a]C[5a]P[5])(C[5a]C[5a]C)(C[5]S[5]S)	S(C[5]C[5,5a]S[5])	C[5](C[5,5a]N[5,5a]C[5a])(S[5]P[5])(S){1|C<4>,1|S<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a]P[5])(C[5a]C[5a]C)(C[5]S[5]S){1|C<3>,1|S<1>,2|C<4>}	S(C[5]C[5,5a]S[5])	129.4580	0.000	1	129.4580	0.000	1	129.4580	0.000	1	129.4580	0.000	1	127.7440	5.876	2	128.0466	2.746	12
818	727	977	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	S	3:3:1:	3:2:3:	3:	C[5,5a]-3:C[5]-3:S-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(S)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]S)	S(C[5]C[5,5a]C[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(S){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]S){2|H<1>,3|C<3>}	S(C[5]C[5,5a]C[5])	126.0300	0.000	1	126.0300	0.000	1	126.0300	0.000	1	126.0300	0.000	1	127.7440	5.876	2	128.0466	2.746	12
818	727	977	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	S	3:2:1:	3:3:3:	3:	C[5,6a]-3:S[5]-2:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(S)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]S)	S(C[5]C[5,6a]S[5])	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6])(S){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]S){2|H<1>,3|C<3>}	S(C[5]C[5,6a]S[5])	127.6030	0.000	1	127.6030	0.000	1	127.7233	0.879	4	127.7233	0.879	4	128.1071	2.679	10	128.0466	2.746	12
818	727	977	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	S	3:2:1:	3:3:3:	3:	C[5,6a]-3:S[5]-2:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]S)	S(C[5]C[5,6a]S[5])	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5])(S){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]S){2|H<1>,3|C<3>}	S(C[5]C[5,6a]S[5])	126.5100	0.000	1	126.5100	0.000	1	127.7233	0.879	4	127.7233	0.879	4	128.1071	2.679	10	128.0466	2.746	12
818	727	977	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	S	3:2:1:	3:3:3:	3:	C[5,6a]-3:S[5]-2:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(S)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]S[5]S)	S(C[5]C[5,6a]S[5])	C[5](C[5,6a]C[5,6a]C[6a])(S[5]S[5])(S){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]S[5]S){1|C<3>,2|H<1>}	S(C[5]C[5,6a]S[5])	128.3900	0.512	2	128.3900	0.262	2	127.7233	0.879	4	127.7233	0.879	4	128.1071	2.679	10	128.0466	2.746	12
818	727	977	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	S	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]S)	S(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S){1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]S){1|O<1>,5|C<3>}	S(C[5]C[5,6a]N[5])	129.6270	0.000	1	129.6270	0.000	1	128.9430	0.936	2	129.8827	3.117	3	128.1071	2.679	10	128.0466	2.746	12
818	727	977	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	S	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	S(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|O<1>,2|C<3>,2|H<1>}	S(C[5]C[5,6a]N[5])	128.2590	0.000	1	128.2590	0.000	1	128.9430	0.936	2	129.8827	3.117	3	128.1071	2.679	10	128.0466	2.746	12
818	727	977	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	S	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5,6a]-3:S-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]N[5,6a]C[6a])(S)	C[5,6a](N[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]S)(C[6a]C[6a]C)	S(C[5]C[5,6a]N[5,5a])	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]N[5,6a]C[6a])(S){1|C<4>,1|N<2>,4|C<3>}	C[5,6a](N[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]S)(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	S(C[5]C[5,6a]N[5,5a])	131.7620	0.000	1	131.7620	0.000	1	131.7620	0.000	1	129.8827	3.117	3	128.1071	2.679	10	128.0466	2.746	12
818	727	977	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	S	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S)	S(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(S){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S){1|C<3>,2|H<1>,4|C<4>}	S(C[5]C[5,6a]C[5])	127.3120	0.000	1	127.3120	0.000	1	126.8433	0.201	3	126.8433	0.201	3	128.1071	2.679	10	128.0466	2.746	12
818	727	977	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	S	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:S-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S)	S(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(S){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]S){1|C<3>,6|H<1>}	S(C[5]C[5,6a]C[5])	126.6090	0.270	2	126.6090	0.073	2	126.8433	0.201	3	126.8433	0.201	3	128.1071	2.679	10	128.0466	2.746	12
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,5a]	C	3:3:2:	3:2:3:	3:2:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(S[5a]C[5a,5a])(C[5]C[5,6a]C)	C(C[5]C[5,5a]C[5,6a])(CSi)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(S[5a]C[5a,5a])(C[5]C[5,6a]C){4|C<3>}	C(C[5]C[5,5a]C[5,6a])(CSi)	129.4100	0.000	2	129.4100	0.000	2	129.4100	0.000	2	129.4100	0.000	2	128.9500	7.412	7	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,5a]	C	3:3:2:	3:3:3:	3:2:	C[5,5a]-3:C[5,5a]-3:C-2:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C-2:	C[5](C[5,5a]C[5,5a]C[5a])2(CC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C(C[5]C[5,5a]2)(CRu)	C[5](C[5,5a]C[5,5a]C[5a])2(CC){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C(C[5]C[5,5a]2)(CRu)	127.8885	0.571	2	127.8885	0.326	2	127.8885	0.326	2	128.7660	10.970	5	128.9500	7.412	7	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,5a]	C	3:3:2:	3:3:3:	3:2:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]C)	C(C[5]C[5,5a]C[5,6a])(CC[6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]C){1|C<2>,5|C<3>}	C(C[5]C[5,5a]C[5,6a])(CC[6a])	132.5770	0.000	1	132.5770	0.000	1	132.5770	0.000	1	128.7660	10.970	5	128.9500	7.412	7	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,5a]	C	3:3:2:	3:3:3:	3:2:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C-2:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)	C(C[5]C[5,5a]C[5,6a])(CC[6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C){1|C<2>,1|H<1>,4|C<3>}	C(C[5]C[5,5a]C[5,6a])(CC[6a])	131.3000	0.000	1	131.3000	0.000	1	131.3000	0.000	1	128.7660	10.970	5	128.9500	7.412	7	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,5a]	C	3:3:2:	3:3:3:	3:2:	C[5,5a]-3:C[5]-3:C-2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]Si[5]S)(CC)	C[5,5a](C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si)(C[5]C[5]C)	C(C[5]C[5,5a]C[5])(CSi)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]Si[5]S)(CC){1|Si<4>,1|C<3>,1|S<2>,2|C<4>}	C[5,5a](C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si)(C[5]C[5]C){1|Si<4>,1|S<2>,2|C<4>}	C(C[5]C[5,5a]C[5])(CSi)	124.1760	0.000	1	124.1760	0.000	1	124.1760	0.000	1	128.7660	10.970	5	128.9500	7.412	7	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(N)	C[5](C[5,6a]C[5,6a]C[6a])2(CN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	C(C[5]C[5,6a]2)(N)	125.5525	0.657	2	126.1412	0.830	4	126.1412	0.830	4	124.6762	6.511	13	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])2(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(N)	C[5](C[5,6a]C[5,6a]C[6a])2(CN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|N<3>,3|C<3>}	C(C[5]C[5,6a]2)(N)	126.7300	0.819	2	126.1412	0.830	4	126.1412	0.830	4	124.6762	6.511	13	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CN)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CN){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5])(N)	125.5320	0.000	1	125.5320	0.000	1	124.0250	7.906	9	124.6762	6.511	13	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(N)	123.5920	0.000	1	123.5920	0.000	1	124.0250	7.906	9	124.6762	6.511	13	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CN){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(N)	120.2010	0.000	1	120.2010	0.000	1	124.0250	7.906	9	124.6762	6.511	13	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CN){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5])(N)	122.9485	0.235	2	122.9485	0.055	2	124.0250	7.906	9	124.6762	6.511	13	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|C<2>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]C[5])(N)	123.1410	0.000	1	123.4817	0.112	3	124.0250	7.906	9	124.6762	6.511	13	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(N)	123.4930	0.000	1	123.4817	0.112	3	124.0250	7.906	9	124.6762	6.511	13	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(N)	123.8110	0.000	1	123.4817	0.112	3	124.0250	7.906	9	124.6762	6.511	13	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CN){3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,5|C<3>}	C(C[5]C[5,6a]C[5])(N)	130.5580	0.000	1	130.5580	0.000	1	124.0250	7.906	9	124.6762	6.511	13	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C(C[5]C[5,5a]C[5,6a])(CC[6a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,5a]C[5,6a])(CC[6a])	120.1130	0.000	1	120.1130	0.000	1	122.3732	3.526	4	125.2371	11.124	16	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C(C[5]C[5,5a]C[5,6a])(CSi)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C(C[5]C[5,5a]C[5,6a])(CSi)	123.9190	0.000	2	123.9190	0.000	2	122.3732	3.526	4	125.2371	11.124	16	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C(C[5]C[5,5a]C[5,6a])(CC[6a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C(C[5]C[5,5a]C[5,6a])(CC[6a])	121.5420	0.000	1	121.5420	0.000	1	122.3732	3.526	4	125.2371	11.124	16	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CRu)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CRu)	126.9995	2.377	2	126.9995	5.648	2	125.2512	5.101	5	125.2371	11.124	16	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CSi)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CSi)	124.0150	0.000	1	124.0150	0.000	1	125.2512	5.101	5	125.2371	11.124	16	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CSi)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]2)(CSi)	125.6310	0.000	1	125.6310	0.000	1	125.2512	5.101	5	125.2371	11.124	16	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-2:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CSi)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CSi)	122.6110	0.000	1	122.6110	0.000	1	125.2512	5.101	5	125.2371	11.124	16	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:C-2:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C)	C(C[5]C[5,6a]2)(CSi)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,5|C<3>}	C(C[5]C[5,6a]2)(CSi)	129.0700	0.000	1	129.0700	0.000	1	129.0700	0.000	1	125.2371	11.124	16	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C)	C(C[5]C[5,6a]2)(CSi)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	C(C[5]C[5,6a]2)(CSi)	126.6020	0.919	2	126.6020	0.845	2	126.6020	0.845	2	125.2371	11.124	16	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(CC[6a])	120.3360	0.000	1	120.3360	0.000	1	122.2365	7.224	2	125.2371	11.124	16	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CC){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5])(CC[6a])	124.1370	0.000	1	124.1370	0.000	1	122.2365	7.224	2	125.2371	11.124	16	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:N[5]-3:C-2:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-2:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(CC)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C(C[5]C[5,6a]N[5])(CC[6a])	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(CC){1|Rh<4>,1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5,6a]N[5])(CC[6a])	130.6485	0.122	2	130.6485	0.015	2	130.6485	0.015	2	125.2371	11.124	16	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[4])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[4]C[4,5]C[4])(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[4]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[4]C[4,5]C[4])(C[5]C[5,6a]2)	126.9700	2.018	2	126.9700	4.073	2	126.9700	4.073	2	126.8052	3.252	26	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CCC)	126.7285	1.410	4	126.7285	1.987	4	126.9782	3.353	21	126.8052	3.252	26	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CC[5]C)	126.7775	0.958	4	126.7775	0.917	4	126.9782	3.353	21	126.8052	3.252	26	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CC[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CC[5]Si)	127.0765	2.447	2	127.0765	5.989	2	126.9782	3.353	21	126.8052	3.252	26	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CC[6a]C[5])	127.1953	2.899	6	127.1953	8.402	6	126.9782	3.353	21	126.8052	3.252	26	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CPP)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CPP)	126.8475	1.999	2	126.8475	3.996	2	126.9782	3.353	21	126.8052	3.252	26	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6a]2)(CSiC)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]2)(CSiC)	127.1660	1.659	3	127.1660	2.753	3	126.9782	3.353	21	126.8052	3.252	26	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	C(C[5]C[5,6a]2)(CSiC)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	C(C[5]C[5,6a]2)(CSiC)	126.0885	1.436	2	126.0885	2.062	2	125.4840	2.128	3	126.8052	3.252	26	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C)	C(C[5]C[5,6a]2)(CSiC)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	C(C[5]C[5,6a]2)(CSiC)	124.2750	0.000	1	124.2750	0.000	1	125.4840	2.128	3	126.8052	3.252	26	125.8573	6.807	56	126.2010	7.715	63
818	727	983	0:SP2_SP1_SP2	C[5]	C[5,6a]	C	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-4:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C(C[5]C[5,6a]C[5])(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5,6a]C[5])(CCC)	126.4940	0.000	1	126.4940	0.000	1	126.4940	0.000	1	126.4940	0.000	1	125.8573	6.807	56	126.2010	7.715	63
818	727	990	0:SP2_SP2_SP2	C[5]	C[5,6a]	As	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:As-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(AsC[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]As)(C[6a]C[6a]H)	As(C[5]C[5,6a]2)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(AsC[6a]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]As)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	As(C[5]C[5,6a]2)(C[6a]C[6a]2)	127.3830	10.409	2	127.3830	108.339	2	127.3830	108.339	2	127.3830	108.339	2	127.3830	108.339	2	127.3830	108.339	2
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:2:2:1:	C[5,6a]-3:C[4,5]-3:P-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:O-2:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(PO3)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]P)(C[6a]C[6a]H)	P(C[5]C[5,6a]C[4,5])(OC[6a])2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(PO3){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]P)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	P(C[5]C[5,6a]C[4,5])(OC[6a])2(O)	126.9800	0.000	1	126.9800	0.000	1	126.9800	0.000	1	126.9800	0.000	1	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:3:3:1:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(S)	124.9980	0.000	1	124.9980	0.000	1	124.9980	0.000	1	124.9980	0.000	1	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:3:3:2:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(SPd)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(SPd)	132.3425	0.675	2	132.4033	0.239	3	132.4033	0.239	3	132.4033	0.239	3	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:3:3:2:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(SPd)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|Pd<4>,1|C<3>,1|P<4>,3|H<1>}	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(SPd)	132.5250	0.000	1	132.4033	0.239	3	132.4033	0.239	3	132.4033	0.239	3	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:3:3:3:	C[5,6a]-3:C[5,6a]-3:P-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	P(C[5]C[5,6a]2)(C[6a]C[6a]2)3	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P(C[5]C[5,6a]2)(C[6a]C[6a]2)3	126.4707	4.931	4	126.4707	24.311	4	126.4707	24.311	4	127.6779	12.472	8	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:3:3:3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,3|H<1>}	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	129.6295	0.579	2	129.0387	1.215	3	129.0387	1.215	3	127.6779	12.472	8	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:3:3:3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)3	127.8570	0.000	1	129.0387	1.215	3	129.0387	1.215	3	127.6779	12.472	8	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:3:3:3:	C[5,6a]-3:P[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]Cr)(PC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]P)	P(C[5]C[5,6a]P[5])(C[6a]C[6a]2)3	C[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]Cr)(PC[6a]3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]P){1|Cr<6>,1|C<3>,3|H<1>}	P(C[5]C[5,6a]P[5])(C[6a]C[6a]2)3	128.4240	0.000	1	128.4240	0.000	1	128.4240	0.000	1	127.6779	12.472	8	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:3:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P){1|C<3>,1|C<4>,3|H<1>}	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CH3)	132.2890	0.000	1	132.2890	0.000	1	129.4410	16.222	2	129.4410	16.222	2	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:3:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CHHP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CHHP)	126.5930	0.000	1	126.5930	0.000	1	129.4410	16.222	2	129.4410	16.222	2	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:3:4:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]CC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)2	129.5540	0.000	1	129.5540	0.000	1	129.5540	0.000	1	129.5540	0.000	1	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:4:4:1:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-4:S-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(CCCH)2(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<3>,4|H<1>}	P(C[5]C[5,6a]C[5])(CCCH)2(S)	121.3040	0.000	1	121.3040	0.000	1	121.3040	0.000	1	121.3040	0.000	1	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:4:4:2:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-4:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(CCCH)2(SIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|O<2>,4|H<1>}	P(C[5]C[5,6a]C[5])(CCCH)2(SIr)	129.5650	0.000	1	129.5650	0.000	1	129.8090	0.119	2	129.8090	0.119	2	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:4:4:2:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:C-4:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	P(C[5]C[5,6a]C[5])(CCCH)2(SRh)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|O<2>,4|H<1>}	P(C[5]C[5,6a]C[5])(CCCH)2(SRh)	130.0530	0.000	1	130.0530	0.000	1	129.8090	0.119	2	129.8090	0.119	2	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a]-3:C[5,6a]-3:P-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(PC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	P(C[5]C[5,6a]2)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])2(PC3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P(C[5]C[5,6a]2)(CH3)3	125.9400	3.792	4	125.9400	14.380	4	125.9400	14.380	4	125.9400	14.380	4	127.8717	12.298	25	127.8717	12.298	25
818	727	992	0:SP2_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:	3:3:3:	4:3:4:4:	C[5,6a]-3:C[5,6a]-3:P-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	P(C[5]C[5,6a]2H)(C[5]C[5,6a]2)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P(C[5]C[5,6a]2H)(C[5]C[5,6a]2)(CH3)2	126.5315	0.114	2	126.5315	0.013	2	126.5315	0.013	2	126.5315	0.013	2	127.8717	12.298	25	127.8717	12.298	25
818	727	997	0:SP2_SP2_SP3	C[5,5]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(Se[5]C[5,6a])	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(Se[5]C[5,6a]){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a]){1|Si<4>,1|H<1>,4|C<3>}	127.0255	0.186	2	127.0255	0.035	2	127.0255	0.035	2	130.4577	35.357	3	130.4577	35.357	3	122.3598	12.599	39
818	727	997	0:SP2_SP2_SP3	C[5,5]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(Se[5]C[5])	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	Se[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(Se[5]C[5]){1|Br<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	Se[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]Br){1|C<4>,1|H<1>,2|C<3>}	137.3220	0.000	1	137.3220	0.000	1	137.3220	0.000	1	130.4577	35.357	3	130.4577	35.357	3	122.3598	12.599	39
818	727	997	0:SP2_SP2_SP3	C[5]	C[5a]	Se[5]	3:2:2:	3:2:2:	3:3:	C[5a]-3:Se[5]-2:Se[5]-2:	C[5]-3:S[5a]-2:S[5a]-2:	C[5,6]-3:C[5]-3:	C[5](C[5a]S[5a]2)(Se[5]C[5,6])2	C[5a](C[5]Se[5]2)(S[5a]C[5a])2	Se[5](C[5,6]C[5,6]S[6])(C[5]C[5a]Se[5])	C[5](C[5a]S[5a]2)(Se[5]C[5,6])2{2|C<3>,2|S<2>}	C[5a](C[5]Se[5]2)(S[5a]C[5a])2{1|O<1>,3|C<3>}	Se[5](C[5,6]C[5,6]S[6])(C[5]C[5a]Se[5]){1|C<4>,3|S<2>}	122.4079	1.242	8	122.4079	1.542	8	122.4079	1.542	8	122.4079	1.542	8	121.6850	5.569	36	122.3598	12.599	39
818	727	997	0:SP2_SP2_SP3	C[5]	C[5a]	Se[5]	3:2:2:	3:3:2:	3:3:	C[5a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]N[5])	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	Se[5](C[5]C[5a]N[5])(C[5]C[6a]N[5])	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	Se[5](C[5]C[5a]N[5])(C[5]C[6a]N[5]){1|O<2>,3|C<3>}	123.7335	0.697	2	123.7335	0.485	2	123.7335	0.485	2	122.5549	2.294	17	121.6850	5.569	36	122.3598	12.599	39
818	727	997	0:SP2_SP2_SP3	C[5]	C[5a]	Se[5]	3:2:2:	3:3:2:	3:3:	C[5a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])(N[5]N[5])	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	Se[5](C[5]C[5a]N[5])2	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	Se[5](C[5]C[5a]N[5])2{2|C<3>,2|S<2>}	124.2990	1.375	2	124.2990	1.890	2	124.2990	1.890	2	122.5549	2.294	17	121.6850	5.569	36	122.3598	12.599	39
818	727	997	0:SP2_SP2_SP3	C[5]	C[5a]	Se[5]	3:2:2:	3:3:2:	3:3:	C[5a]-3:Se[5]-2:N[5]-2:	C[5a]-3:C[5]-3:O[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]C[5])	C[5a](C[5a]C[5a,6a]H)(C[5]Se[5]N[5])(O[5a]C[5a,6a])	Se[5](C[5]C[5a]N[5])(C[5]C[5]C)	C[5](C[5a]C[5a]O[5a])(Se[5]C[5])(N[5]C[5]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5]Se[5]N[5])(O[5a]C[5a,6a]){4|C<3>}	Se[5](C[5]C[5a]N[5])(C[5]C[5]C){1|C<3>,1|H<1>,1|O<2>}	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	122.5549	2.294	17	121.6850	5.569	36	122.3598	12.599	39
818	727	997	0:SP2_SP2_SP3	C[5]	C[5a]	Se[5]	3:2:2:	3:3:2:	3:3:	C[5a]-3:Se[5]-2:Se[5]-2:	C[5a]-3:C[5]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])2	C[5a](C[5a]S[5a]O)(C[5]Se[5]2)(S[5a]C[5a])	Se[5](C[5]C[5a]Se[5])(C[5]C[5]H)	C[5](C[5a]C[5a]S[5a])(Se[5]C[5])2{1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5a](C[5a]S[5a]O)(C[5]Se[5]2)(S[5a]C[5a]){3|C<3>}	Se[5](C[5]C[5a]Se[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|S<2>}	122.3675	1.049	12	122.3675	1.101	12	122.3675	1.101	12	122.5549	2.294	17	121.6850	5.569	36	122.3598	12.599	39
818	727	997	0:SP2_SP2_SP3	C[5]	C[5a]	Se[5]	3:3:2:	3:2:2:	3:3:	C[5a]-3:C[5]-3:Se[5]-2:	C[5]-3:N[5a]-2:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)(Se[5]C[5])	C[5a](C[5]Se[5]C[5])(N[5a]N[5a])(S[5a]C[5a])	Se[5](C[5]C[5a]C[5])(C[5]C[5]H)	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5]Se[5]C[5])(N[5a]N[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	Se[5](C[5]C[5a]C[5])(C[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>}	118.2345	1.535	2	118.2345	2.357	2	118.2345	2.357	2	118.2345	2.357	2	121.6850	5.569	36	122.3598	12.599	39
818	727	997	0:SP2_SP2_SP3	C[5]	C[5a]	Se[5]	3:3:2:	3:3:2:	3:2:	C[5,5]-3:C[5a]-3:Se[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:Se[5]-2:	C[5](C[5,5]C[5,5]Se[5])(C[5a]C[5a]S[5a])(Se[5]Se[5])	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a])	Se[5](C[5]C[5,5]C[5a])(Se[5]C[5,5])	C[5](C[5,5]C[5,5]Se[5])(C[5a]C[5a]S[5a])(Se[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a]){2|Se<2>,1|C<3>,2|H<1>}	Se[5](C[5]C[5,5]C[5a])(Se[5]C[5,5]){1|Se<2>,1|S<2>,2|C<3>}	113.4670	0.000	1	113.4670	0.000	1	113.4670	0.000	1	113.4670	0.000	1	121.6850	5.569	36	122.3598	12.599	39
818	727	997	0:SP2_SP2_SP3	C[5]	C[5a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[5,5]-3:C[5a]-3:Se[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5])	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a])	Se[5](C[5]C[5,5]C[5a])2	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	Se[5](C[5]C[5,5]C[5a])2{2|C<3>,2|C<4>,2|S<2>}	119.2905	0.490	4	119.2905	0.240	4	119.2905	0.240	4	121.0036	4.709	8	121.6850	5.569	36	122.3598	12.599	39
818	727	997	0:SP2_SP2_SP3	C[5]	C[5a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(Se[5]C[5])	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	Se[5](C[5]C[5a]C[5])(C[5]C[5]Se)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(Se[5]C[5]){1|Se<2>,2|C<3>,2|H<1>}	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	Se[5](C[5]C[5a]C[5])(C[5]C[5]Se){1|C<3>,1|O<2>,2|H<1>}	121.3695	1.204	2	121.3695	1.450	2	121.3695	1.450	2	121.0036	4.709	8	121.6850	5.569	36	122.3598	12.599	39
818	727	997	0:SP2_SP2_SP3	C[5]	C[5a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(Se[5]C[5])	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]S)(S[5a]C[5a])	Se[5](C[5]C[5a]C[5])(C[5]C[5]H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(Se[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]S)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	Se[5](C[5]C[5a]C[5])(C[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	124.0640	0.232	2	124.0640	0.054	2	124.0640	0.054	2	121.0036	4.709	8	121.6850	5.569	36	122.3598	12.599	39
818	727	997	5:SP2_SP2_SP3	C[5,5]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a])	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a]){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	131.3116	0.599	5	131.3116	0.359	5	131.3116	0.359	5	131.3116	0.359	5	131.3116	0.359	5	119.2062	115.113	12
818	727	997	5:SP2_SP2_SP3	C[5]	C[5,6a]	Se[5]	3:2:1:	3:3:3:	4:3:	C[5,6a]-3:Se[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]Se[5]O)	Se[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]Se[5]O){2|H<1>,3|C<3>}	Se[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	110.5596	1.458	7	119.2062	115.113	12
818	727	997	5:SP2_SP2_SP3	C[5]	C[5,6a]	Se[5]	3:2:4:	3:3:3:	3:3:	C[5,6a]-3:Se[5]-2:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C)	Se[5](C[5]C[5,6a]C)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CCHH){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C){1|C<4>,1|H<1>,4|C<3>}	Se[5](C[5]C[5,6a]C)2{2|C<3>}	110.6325	0.841	4	110.6325	0.707	4	110.9248	0.629	6	110.9248	0.629	6	110.5596	1.458	7	119.2062	115.113	12
818	727	997	5:SP2_SP2_SP3	C[5]	C[5,6a]	Se[5]	3:2:4:	3:3:3:	3:3:	C[5,6a]-3:Se[5]-2:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C)	Se[5](C[5]C[5,6a]C)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]C[5])(CH3){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]Se[5]C){1|C<4>,1|H<1>,4|C<3>}	Se[5](C[5]C[5,6a]C)2{2|C<3>}	111.5095	0.040	2	111.5095	0.002	2	110.9248	0.629	6	110.9248	0.629	6	110.5596	1.458	7	119.2062	115.113	12
818	727	999	5:SP2_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:	3:3:3:	4:3:3:1:	C[5,6a]-3:N[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	Se[5,5]-4:C[5]-3:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a]H)(O)	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a]H)(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,3|C<3>,3|H<1>}	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,7|C<3>}	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1
818	742	818	5:SP2_SP2_SP3	C[5]	B[4,5]	C[5]	4:3:4:	3:3:3:2:	3:3:1:	B[4,5]-4:C[5]-3:C-4:	N[4]-3:N[5]-3:C[5]-3:O[4]-2:	C[5]-3:C[5]-3:H-1:	C[5](B[4,5]N[4]N[5]O[4])(C[5]C[5]H)(CC3)	B[4,5](N[4]C[6a]C[4])(N[5]C[6a]C[5])(C[5]C[5]C)(O[4]C[4])	C[5](C[5]B[4,5]C)(C[5]N[5]C)(H)	C[5](B[4,5]N[4]N[5]O[4])(C[5]C[5]H)(CC3){1|C<4>,3|C<3>}	B[4,5](N[4]C[6a]C[4])(N[5]C[6a]C[5])(C[5]C[5]C)(O[4]C[4]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]B[4,5]C)(C[5]N[5]C)(H){1|C<3>,1|N<3>,1|O<2>}	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1
818	762	786	0:SP2_SP2_SP3	C[5,6]	C[6]	B[5]	3:4:3:	4:3:1:	3:3:3:3:	C[5,6]-3:B[5]-4:C[6]-3:	C[6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6](C[5,6]C[6,6]P[5])(B[5]C[6a]2N[5])(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]B[5])(H)	B[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(N[5]P[5]O)	C[5,6](C[5,6]C[6,6]P[5])(B[5]C[6a]2N[5])(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]B[5])(H){1|C<4>,1|H<1>,1|N<3>,1|P<4>,5|C<3>}	B[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)2(N[5]P[5]O){1|C<4>,1|H<1>,4|F<1>,7|C<3>}	128.1360	0.000	1	128.1360	0.000	1	128.1360	0.000	1	128.1360	0.000	1	128.1360	0.000	1	128.1360	0.000	1
818	762	813	0:SP2_SP2_SP2	C[5]	C[6]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2)	C[6](C[5]N[5,6a]C[5])(C[6]C[6]O)2	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2){1|N<2>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[5]N[5,6a]C[5])(C[6]C[6]O)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.1250	0.000	1	121.1250	0.000	1	121.9673	0.550	3	123.4648	4.485	5	123.4648	4.485	5	123.4648	4.485	5
818	762	813	0:SP2_SP2_SP2	C[5]	C[6]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2)	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2{1|N<3>,2|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.5220	0.000	1	122.5220	0.000	1	121.9673	0.550	3	123.4648	4.485	5	123.4648	4.485	5	123.4648	4.485	5
818	762	813	0:SP2_SP2_SP2	C[5]	C[6]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[6]C[6]2)	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[6]C[6]2){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2{1|N<3>,3|C<3>,3|C<4>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.2550	0.000	1	122.2550	0.000	1	121.9673	0.550	3	123.4648	4.485	5	123.4648	4.485	5	123.4648	4.485	5
818	762	813	0:SP2_SP2_SP2	C[5]	C[6]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C)	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Co)(C[6]C[6]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C){1|Co<4>,3|H<1>,4|C<3>}	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.6050	0.000	1	125.6050	0.000	1	125.7110	0.022	2	123.4648	4.485	5	123.4648	4.485	5	123.4648	4.485	5
818	762	813	0:SP2_SP2_SP2	C[5]	C[6]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C)	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C){1|Zn<4>,3|H<1>,4|C<3>}	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.8170	0.000	1	125.8170	0.000	1	125.7110	0.022	2	123.4648	4.485	5	123.4648	4.485	5	123.4648	4.485	5
818	762	818	0:SP2_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,6,6]-3:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[6,6]C[3x6]H)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5,6,6])(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O[6,6])(C[6,6]C[3x6]H)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5,6,6])(O){1|H<1>,1|O<2>,4|C<4>}	132.7210	0.000	1	132.7210	0.000	1	132.7210	0.000	1	132.7210	0.000	1	133.8906	1.893	16	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:3:	3:4:1:	3:3:3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,6,6]-3:C[5]-3:C-3:	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]H)(C[5]C[5]C)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]S[5]C)(COO)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]H)(C[5]C[5]C){1|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|S<2>,6|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]S[5]C)(COO){1|C<4>,1|H<1>,2|C<3>}	133.8450	0.000	1	133.8450	0.000	1	133.0025	1.420	2	133.0025	1.420	2	133.8906	1.893	16	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:3:	3:4:1:	3:3:3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-3:C[3x6]-4:H-1:	C[5,6,6]-3:C[5]-3:C-3:	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]H)(C[5]C[5]C)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]Se[5]C)(COO)	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]H)(C[5]C[5]C){1|H<1>,5|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|Se<2>,6|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]Se[5]C)(COO){1|C<4>,1|H<1>,2|C<3>}	132.1600	0.000	1	132.1600	0.000	1	133.0025	1.420	2	133.0025	1.420	2	133.8906	1.893	16	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:3:	3:4:3:	3:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]S[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|H<1>,7|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]S[5])(H){1|C<4>,5|C<3>}	134.1869	0.745	8	134.1869	0.555	8	133.8303	1.630	9	133.8303	1.630	9	133.8906	1.893	16	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:3:	3:4:3:	3:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]Se[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,7|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|Se<3>,3|H<1>,7|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]Se[5])(H){1|C<4>,1|O<1>,5|C<3>}	130.9780	0.000	1	130.9780	0.000	1	133.8303	1.630	9	133.8303	1.630	9	133.8906	1.893	16	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:3:	4:3:1:	3:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[3x6]-4:C[5,6,6]-3:Cl-1:	C[5,6,6]-3:N[5]-3:O-1:	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O)	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[5])(Cl)	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]C)(O)	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[5,6,6]C[5,3x6]C[5])(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	135.2910	0.371	2	135.2910	0.137	2	135.2910	0.137	2	135.2910	0.137	2	133.8906	1.893	16	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:3:	4:3:3:	3:2:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[3x6]-4:C[5,6,6]-3:C-3:	C[5,6,6]-3:O[5]-2:O-1:	C[5,6,6](C[5,3x6]C[6,6,6a]C[3x6]C[5])(C[6,6]C[3x6]C)(C[5]O[5]O)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[5,6,6]C[5,3x6]C[5])(COO)	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(O)	C[5,6,6](C[5,3x6]C[6,6,6a]C[3x6]C[5])(C[6,6]C[3x6]C)(C[5]O[5]O){3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[5,6,6]C[5,3x6]C[5])(COO){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(O){1|C<4>,2|H<1>,3|C<3>}	136.0590	0.000	1	136.0590	0.000	1	136.0590	0.000	1	136.0590	0.000	1	133.8906	1.893	16	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:3:	4:3:3:	3:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[3x6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]Se[5])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|O<1>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2){1|Se<3>,4|H<1>,6|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]Se[5])(H){1|C<4>,1|O<1>,5|C<3>}	132.4100	0.000	1	132.4100	0.000	1	132.4100	0.000	1	132.4100	0.000	1	133.8906	1.893	16	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	4:3:3:	C[5,5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H){5|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2){3|H<1>,8|C<3>}	131.5790	0.000	1	131.5790	0.000	1	131.5790	0.000	1	131.5790	0.000	1	131.5790	0.000	1	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CCO)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]O[5]O)(CCO){1|C<4>,3|C<3>}	135.7510	0.523	2	135.7510	0.274	2	135.7510	0.274	2	135.7510	0.274	2	130.7606	20.997	5	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:3:	4:3:4:	3:2:1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(O){1|C<3>,2|H<1>,3|C<4>}	127.7155	0.474	2	127.7155	0.225	2	127.7155	0.225	2	127.7155	0.225	2	130.7606	20.997	5	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:3:	4:3:4:	3:4:1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O){1|O<2>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]HH){1|O<1>,4|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(O){1|H<1>,5|C<4>}	126.8700	0.000	1	126.8700	0.000	1	126.8700	0.000	1	126.8700	0.000	1	130.7606	20.997	5	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,5]	3:3:3:	3:3:1:	3:3:2:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:O[5]-2:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]O[5])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H)	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(O[5]C[5,6a])	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]O[5])(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(O[5]C[5,6a]){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	128.5025	0.381	2	128.5025	0.145	2	128.5025	0.145	2	128.5025	0.145	2	129.6495	9.362	12	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,5]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[5,5]-3:	C[5,6](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]C[5]2)	C[5,6](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	128.9620	0.000	1	128.9620	0.000	1	128.9620	0.000	1	128.1385	6.100	6	129.6495	9.362	12	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,5]	3:3:3:	3:3:1:	3:3:3:	C[5,5]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,5]N[5,5,6]C[5])(N[5,6]In[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H)	C[5,5](N[5,5,6]In[5,6]N[5,6])(C[5,6]N[5,6]C[6])(C[5]C[5]H)	C[5,6](C[5,5]N[5,5,6]C[5])(N[5,6]In[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,5](N[5,5,6]In[5,6]N[5,6])(C[5,6]N[5,6]C[6])(C[5]C[5]H){1|In<6>,2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.1060	0.000	1	123.1060	0.000	1	123.1060	0.000	1	128.1385	6.100	6	129.6495	9.362	12	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,5]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:N[5]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H)	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,2|N<3>}	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(N[5]C[5,6a]C){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	129.1908	0.147	4	129.1908	0.022	4	129.1908	0.022	4	128.1385	6.100	6	129.6495	9.362	12	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,5]	3:3:3:	3:3:1:	3:3:4:	C[5,5]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H)	C[5,5](N[5,5]C[5,5]Si[5])(C[5,6]N[5,6]C[6])(C[5]C[5,5]HH)	C[5,6](C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,5](N[5,5]C[5,5]Si[5])(C[5,6]N[5,6]C[6])(C[5]C[5,5]HH){2|C<4>,3|H<1>,4|C<3>}	131.1020	0.570	3	131.1020	0.324	3	131.1020	0.324	3	131.1020	0.324	3	129.6495	9.362	12	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,5]	3:3:3:	3:4:1:	3:3:3:	C[5,6,6a]-3:C[5,5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5,5]-3:N[5]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5]C[5,5]N[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5,5])(C[6]C[6]CH)(H)	C[5,5](C[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5]C[5,5]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5,5])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	136.6520	0.000	1	136.6520	0.000	1	136.6520	0.000	1	136.6520	0.000	1	129.6495	9.362	12	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	127.1735	0.578	2	127.1453	0.718	4	127.1453	0.718	4	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	127.1170	1.348	2	127.1453	0.718	4	127.1453	0.718	4	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,2|O<1>,4|C<3>}	129.5450	0.000	1	129.5450	0.000	1	129.5450	0.000	1	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){1|O<3>,3|C<3>,3|F<1>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){1|O<3>,3|C<3>,3|F<1>,3|H<1>}	123.9125	1.001	2	124.7389	1.130	8	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Cl<1>,1|P<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Cl<1>,2|H<1>,4|C<3>}	124.1975	0.094	2	124.7389	1.130	8	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Cl<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Cl<1>,1|P<3>,2|H<1>,3|C<3>}	126.1525	0.425	2	124.7389	1.130	8	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Fe<8>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Fe<8>,3|C<3>,3|H<1>}	124.6930	0.874	2	124.7389	1.130	8	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ge<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	124.8510	1.253	2	124.7795	0.539	4	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ge<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H){3|C<3>,3|H<1>}	124.7080	0.165	2	124.7795	0.539	4	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.8025	0.626	4	122.6944	0.197	8	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<3>,2|H<1>,3|C<3>}	122.5863	0.195	4	122.6944	0.197	8	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	122.3947	0.177	4	122.4437	0.054	6	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|O<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|O<3>,3|C<3>,3|H<1>}	122.5415	0.381	2	122.4437	0.054	6	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Nb[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Nb[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Nb[5]C[6])(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>,3|N<2>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Nb<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Nb[5]C[6])(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>,3|N<2>}	123.1515	0.227	2	123.1515	0.052	2	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){1|C<2>,3|C<3>,3|F<1>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){1|C<2>,3|C<3>,3|F<1>,3|H<1>}	125.1280	0.146	2	125.3334	0.821	12	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	125.3405	2.150	2	125.3334	0.821	12	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|Cl<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|Cl<1>,3|C<3>,5|H<1>}	126.4195	0.674	2	125.3334	0.821	12	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	125.0020	0.276	4	125.3334	0.821	12	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){3|Cl<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){3|Cl<1>,3|C<3>,3|H<1>}	125.1085	0.846	2	125.3334	0.821	12	124.0888	1.992	40	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	124.1765	1.117	2	124.1765	1.247	2	124.4954	1.493	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|Cl<1>,1|Pd<4>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|Cl<1>,1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	126.0210	0.755	2	124.4787	0.958	12	124.4954	1.493	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	123.8025	0.349	2	124.4787	0.958	12	124.4954	1.493	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|I<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,2|I<1>,5|C<3>}	125.3930	0.057	2	124.4787	0.958	12	124.4954	1.493	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|F<1>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|F<1>,4|C<3>}	123.5785	0.011	2	124.4787	0.958	12	124.4954	1.493	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Br<1>,1|N<3>,2|H<1>,4|C<3>}	124.0775	0.015	2	124.4787	0.958	12	124.4954	1.493	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	124.0000	0.318	2	124.4787	0.958	12	124.4954	1.493	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){1|Pd<4>,2|Cl<1>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|Pd<4>,2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	126.0505	0.074	2	124.0580	2.444	6	124.4954	1.493	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|N<3>,1|P<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	123.1775	0.472	2	124.0580	2.444	6	124.4954	1.493	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	122.9460	0.174	2	124.0580	2.444	6	124.4954	1.493	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]P[3x5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]C[5,6]P[3x5])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]P[3x5]C[6])(C[6]C[6]H){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>,2|C<3>}	C[5,6](N[5,5,6]C[5,6]P[3x5])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	126.2265	0.049	2	126.2265	0.002	2	124.4954	1.493	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]C[5,6]P[3x5])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]P[3x5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]C[5,6]P[3x5])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>,2|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]P[3x5]C[6])(C[6]C[6]H){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	128.9590	0.216	2	128.9590	0.047	2	126.0690	1.699	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]C)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.9840	1.041	2	126.9840	1.083	2	126.0690	1.699	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|Cl<1>,1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|Cl<1>,1|Pd<4>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	125.8010	0.774	2	126.2072	0.160	10	126.0690	1.699	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	126.3130	0.075	2	126.2072	0.160	10	126.0690	1.699	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|F<1>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|F<1>,3|H<1>}	126.4085	0.292	2	126.2072	0.160	10	126.0690	1.699	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Br<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	126.1540	0.375	2	126.2072	0.160	10	126.0690	1.699	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	126.3595	0.356	2	126.2072	0.160	10	126.0690	1.699	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,2|I<1>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6a]C[6])(H){1|Ga<5>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|I<1>,3|C<3>,3|H<1>}	125.3020	0.257	2	125.3020	0.066	2	126.0690	1.699	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|Pd<4>,2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){1|Pd<4>,2|Cl<1>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	125.8145	0.616	2	124.8258	0.805	6	126.0690	1.699	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|N<3>,1|P<3>,2|H<1>,3|C<3>}	124.3135	0.667	2	124.8258	0.805	6	126.0690	1.699	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	124.3495	0.518	2	124.8258	0.805	6	126.0690	1.699	22	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Ga[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|C<3>,3|H<1>,4|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]Ga[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|C<3>,3|H<1>,4|N<3>}	123.2673	0.364	6	123.2673	0.133	6	123.6902	0.743	32	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Ga[4,5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[4,5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Ga[4,5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]Ga[4,5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|N<3>,2|O<2>,3|C<3>,3|H<1>}	123.4481	0.869	16	123.4481	0.755	16	123.6902	0.743	32	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Ga[5,5,6]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5,6]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Ga[5,5,6]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]Ga[5,5,6]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|N<3>,2|O<2>,3|C<3>,3|H<1>}	123.5718	0.154	4	123.5718	0.024	4	123.6902	0.743	32	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]In[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]In[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]In[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|C<3>,3|H<1>,4|O<2>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]In[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|C<3>,3|H<1>,4|O<2>}	124.4420	0.567	2	124.4420	0.322	2	123.6902	0.743	32	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Si[5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]Si[5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,2|N<3>,3|C<3>,3|H<1>}	125.0353	0.271	4	125.0353	0.074	4	123.6902	0.743	32	124.5634	2.540	121	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6,6a]H)(H){1|C<4>,4|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	131.9070	0.000	1	131.9265	0.001	2	131.9265	0.001	2	131.9265	0.001	2	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6,6a]H)(H){1|C<4>,4|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	131.9460	0.000	1	131.9265	0.001	2	131.9265	0.001	2	131.9265	0.001	2	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-2:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(OH)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(OH){1|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	129.9910	0.000	1	129.9910	0.000	1	129.9910	0.000	1	129.9910	0.000	1	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	133.0540	0.000	1	131.7310	3.501	2	131.7310	3.501	2	132.0070	1.979	3	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[6,6]-3:C[5,6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	130.4080	0.000	1	131.7310	3.501	2	131.7310	3.501	2	132.0070	1.979	3	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	132.5590	0.000	1	132.5590	0.000	1	132.5590	0.000	1	132.0070	1.979	3	124.8980	4.751	127	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[6]-2:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]C)(C[6]N[6]H)	C[6](C[5,6]N[5,6]C[5])(N[6]C[6])(H)	C[5](N[5,5]Ga[3x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]C)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|S<2>}	C[6](C[5,6]N[5,6]C[5])(N[6]C[6])(H){1|Ga<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]Ga[3x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	123.5260	0.000	1	123.5260	0.000	1	123.5260	0.000	1	123.5260	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:2:1:	3:4:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[6]-2:H-1:	C[5,6]-3:C[5]-4:S-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]S)(C[6]N[6]H)	C[6](C[5,6]N[5,6]C[5])(N[6]C[6,6a])(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(SC[6a]OO)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]S)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(N[6]C[6,6a])(H){1|S<4>,2|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(SC[6a]OO){1|N<2>,2|C<3>,2|H<1>}	132.8610	0.000	1	132.8610	0.000	1	132.8610	0.000	1	132.8610	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[4,5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[4,5])(O)	C[5,6](C[5,6]C[4,5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[4,5])(O){1|C<3>,1|H<1>,3|C<4>}	129.0010	0.000	1	129.0010	0.000	1	129.0010	0.000	1	124.7866	5.394	19	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,5,6]C[6])(O[5]Ga[5x5])(O)	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|N<3>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]N[5,5,6]C[6])(O[5]Ga[5x5])(O){1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|N<3>}	127.3895	0.210	2	127.3895	0.044	2	125.8605	1.165	10	124.7866	5.394	19	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,5,6]In[3x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,5,6]C[6])(O[5]In[3x5])(O)	C[5,6](N[5,5,6]In[3x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,2|O<2>,2|O<3>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]N[5,5,6]C[6])(O[5]In[3x5])(O){1|H<1>,1|N<3>,2|C<3>,2|O<2>,2|O<3>}	124.9695	0.733	2	124.9695	0.538	2	125.8605	1.165	10	124.7866	5.394	19	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,5,6]In[4,5,5]C[5,6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,5,6]C[6])(O[5]In[4,5,5])(O)	C[5,6](N[5,5,6]In[4,5,5]C[5,6])(C[5]O[5]O)(C[6]C[6]H){1|H<1>,2|C<3>,2|O<3>,3|O<2>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]N[5,5,6]C[6])(O[5]In[4,5,5])(O){1|H<1>,2|C<3>,2|O<3>,3|O<2>}	125.6478	0.821	6	125.6478	0.674	6	125.8605	1.165	10	124.7866	5.394	19	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,6]C[6,6a]In[5])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5](C[5,6]N[5,6]C[6])(O[5]In[5])(O)	C[5,6](N[5,6]C[6,6a]In[5])(C[5]O[5]O)(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H){1|In<5>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(O[5]In[5])(O){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	121.2105	0.067	2	121.2105	0.005	2	122.9175	4.196	8	124.7866	5.394	19	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,6]Ga[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(O[5]Ga[5])(O)	C[5,6](N[5,6]Ga[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]N[5,6]C[6])(O[5]Ga[5])(O){1|H<1>,2|C<3>,2|O<2>}	127.3330	0.000	1	127.3330	0.000	1	122.9175	4.196	8	124.7866	5.394	19	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(O[5]In[3x5])(O)	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,2|O<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]N[5,6]C[6])(O[5]In[3x5])(O){1|H<1>,1|N<3>,2|C<3>,2|O<2>,2|O<3>}	122.1670	0.000	1	122.9590	0.891	4	122.9175	4.196	8	124.7866	5.394	19	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(O[5]In[3x5])(O)	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]N[5,6]C[6])(O[5]In[3x5])(O){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	123.2230	0.959	3	122.9590	0.891	4	122.9175	4.196	8	124.7866	5.394	19	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,6]In[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(O[5]In[5])(O)	C[5,6](N[5,6]In[5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|Cl<1>,1|C<3>,1|O<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(O[5]In[5])(O){3|Cl<1>,1|H<1>,1|O<3>,2|C<3>}	121.7500	0.000	1	121.7500	0.000	1	122.9175	4.196	8	124.7866	5.394	19	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-2:O-2:	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]S[5])(OC[6a])	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]O)(C[6]C[6]H){1|C<3>,1|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,1|O<2>,1|S<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]S[5])(OC[6a]){1|C<2>,1|C<3>,1|H<1>,2|O<1>}	129.9840	0.000	1	129.9840	0.000	1	129.9840	0.000	1	129.9840	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])2(H){2|C<3>,2|H<1>,2|N<3>}	138.1755	0.829	2	138.4667	0.504	8	138.4667	0.504	8	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])2(H){2|C<3>,2|H<1>,2|N<3>}	138.5530	0.925	4	138.4667	0.504	8	138.4667	0.504	8	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])2(H){2|C<3>,2|H<1>,2|N<3>}	138.5855	0.223	2	138.4667	0.504	8	138.4667	0.504	8	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(O)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	133.1475	0.066	2	133.8051	5.754	19	133.8051	5.754	19	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(O)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	135.2368	0.478	8	133.8051	5.754	19	133.8051	5.754	19	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(O)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	135.6680	0.047	3	133.8051	5.754	19	133.8051	5.754	19	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(O)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	129.5507	0.590	4	133.8051	5.754	19	133.8051	5.754	19	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(O)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(O){2|C<3>,2|H<1>,2|N<3>}	134.4500	0.134	2	133.8051	5.754	19	133.8051	5.754	19	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H){1|C<3>,1|P<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]P[5])(H){1|C<2>,1|C<3>,2|P<3>,3|H<1>}	132.0840	0.000	1	132.0840	0.000	1	132.0840	0.000	1	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	128.3610	0.851	3	128.3610	0.725	3	129.8869	2.457	8	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	130.7835	0.831	2	130.8024	1.143	5	129.8869	2.457	8	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	132.0190	0.000	1	130.8024	1.143	5	129.8869	2.457	8	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	131.1370	0.000	1	130.8024	1.143	5	129.8869	2.457	8	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	129.2890	0.000	1	130.8024	1.143	5	129.8869	2.457	8	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]N[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){1|C<4>,1|N<3>,2|H<1>}	131.6510	0.000	1	131.6510	0.000	1	131.6510	0.000	1	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,5,6]C[6])(N[5]S[5,5]C[6a])(H)	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5]N[5]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<3>,2|H<1>}	C[5](C[5,6]N[5,5,6]C[6])(N[5]S[5,5]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	129.0220	0.000	1	129.0220	0.000	1	129.0220	0.000	1	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]C[5])(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]C[5])(H){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	127.8615	0.052	2	127.8615	0.003	2	128.2560	0.468	3	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]Si)(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]Si)(H){1|H<1>,2|C<3>,2|C<4>}	129.0450	0.000	1	129.0450	0.000	1	128.2560	0.468	3	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|Ru<6>,1|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(O){2|C<3>,2|H<1>}	133.0265	0.511	2	132.8040	0.279	3	132.8040	0.279	3	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(O){1|H<1>,3|C<3>}	132.3590	0.000	1	132.8040	0.279	3	132.8040	0.279	3	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[5,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[5,6]C)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])(H)	C[5,6](N[5,6]C[5,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Fe<10>,1|Cu<2>,1|C<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[5,6]C)(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]C[5])(H){1|Cu<2>,1|C<4>,1|H<1>,3|C<3>}	134.0440	0.141	2	134.0440	0.020	2	129.7366	34.678	16	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	128.3130	0.390	2	129.7590	3.158	4	129.7366	34.678	16	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H){1|H<1>,1|N<3>,4|C<3>}	131.8970	0.000	1	129.7590	3.158	4	129.7366	34.678	16	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	130.5130	0.000	1	129.7590	3.158	4	129.7366	34.678	16	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|Cl<1>,1|H<1>,2|N<3>,4|C<3>}	124.6150	0.000	1	124.8582	0.135	5	129.7366	34.678	16	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|O<3>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|H<1>,1|O<3>,2|N<3>,4|C<3>}	124.4630	0.000	1	124.8582	0.135	5	129.7366	34.678	16	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|H<1>,1|S<2>,2|N<3>,4|C<3>}	125.1330	0.409	2	124.8582	0.135	5	129.7366	34.678	16	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]Ga[5,5]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	124.9470	0.000	1	124.8582	0.135	5	129.7366	34.678	16	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]In[5])(H)	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]H)(C[6]C[6]H){3|Cl<1>,1|O<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]In[5])(H){3|Cl<1>,1|H<1>,1|O<3>,4|C<3>}	120.8660	0.000	1	120.8660	0.000	1	129.7366	34.678	16	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>}	142.1970	0.000	1	141.4295	1.178	2	129.7366	34.678	16	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	140.6620	0.000	1	141.4295	1.178	2	129.7366	34.678	16	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:H-1:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]Si[5,5]C[6a])(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]Si[5,5]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	130.3230	0.191	2	130.3230	0.036	2	129.7366	34.678	16	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(O){2|H<1>,4|C<3>}	131.7425	0.218	2	131.7425	0.048	2	131.7425	0.048	2	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5]B[5,6,6]C[6a])(C[5,6]N[5,6]C[6])(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[5](C[5]B[5,6,6]C[6a])(C[5,6]N[5,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	128.5880	0.163	2	128.5880	0.026	2	128.5880	0.026	2	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:H-1:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]H)(C[6]C[6]H){3|Cl<1>,1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(H){3|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	120.6820	0.000	1	120.6820	0.000	1	120.6820	0.000	1	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,6a]-3:C[5,6]-3:O-1:	C[5,6](N[5,6]B[5,6a]C[6])(C[5]N[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,6a]B[5,6a]N[6a])(C[5,6]N[5,6]C[6])(O)	C[5,6](N[5,6]B[5,6a]C[6])(C[5]N[5,6a]O)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5](N[5,6a]B[5,6a]N[6a])(C[5,6]N[5,6]C[6])(O){1|H<1>,1|O<2>,4|C<3>}	127.1740	0.000	1	127.1740	0.000	1	127.1740	0.000	1	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:1:	P[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](P[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]H)(C[6]C[6]H)	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H)	C[5,6](P[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){2|H<1>,4|C<3>}	130.0610	0.000	1	130.0610	0.000	1	130.0610	0.000	1	131.9317	21.082	67	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:Se-2:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]Se)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(SeC[6a])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]Se)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(SeC[6a]){1|H<1>,3|C<3>}	131.6075	0.170	2	131.6075	0.029	2	131.2837	0.329	3	131.1461	0.721	7	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:Se-2:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]Se)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(SeC[6a])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]Se)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H){1|Se<2>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(SeC[6a]){1|H<1>,3|C<3>}	130.6360	0.000	1	130.6360	0.000	1	131.2837	0.329	3	131.1461	0.721	7	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6a]-3:N[5]-2:	C[5,6](N[5,6]Se[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(N[5]Se[5])	C[5,6](N[5,6]Se[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(N[5]Se[5]){3|H<1>,4|C<3>}	129.4540	0.000	1	129.4540	0.000	1	129.4540	0.000	1	131.1461	0.721	7	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5,6](N[5,6]C[6]P[5])(C[5]C[6a]O[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(O[5]P[5])	C[5,6](N[5,6]C[6]P[5])(C[5]C[6a]O[5])(C[6]C[6]H){1|C<4>,1|N<2>,1|W<6>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(O[5]P[5]){1|C<4>,1|W<6>,2|H<1>,4|C<3>}	131.4890	0.400	2	131.4890	0.160	2	131.5727	0.101	3	131.1461	0.721	7	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5,6](N[5,6]Si[5,6]C[6])(C[5]C[6a]O[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,6])	C[5,6](N[5,6]Si[5,6]C[6])(C[5]C[6a]O[5])(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,6]){2|N<3>,3|H<1>,4|C<3>}	131.7400	0.000	1	131.7400	0.000	1	131.5727	0.101	3	131.1461	0.721	7	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:B[5]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]B[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(B[5]O[5]2)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]B[5])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(B[5]O[5]2){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	137.1585	0.749	2	137.1585	0.561	2	137.1585	0.561	2	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(COO)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])2(COO){2|C<3>,2|H<1>,2|N<3>}	136.9965	0.497	2	137.1143	0.501	6	136.7081	0.616	10	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(COO)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])2(COO){2|C<3>,2|H<1>,2|N<3>}	137.1732	0.860	4	137.1143	0.501	6	136.7081	0.616	10	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(CSS)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])2(CSS){2|C<3>,2|H<1>,2|N<3>}	135.7445	0.251	2	136.0987	0.188	4	136.7081	0.616	10	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(CSS)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])2(CSS){2|C<3>,2|H<1>,2|N<3>}	136.4530	0.006	2	136.0987	0.188	4	136.7081	0.616	10	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(C[5]S[5]2)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C[5])(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])2(C[5]S[5]2){2|H<1>,2|N<3>,4|C<3>}	135.9730	0.772	2	135.9730	0.596	2	135.9730	0.596	2	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){3|H<1>,6|C<3>}	127.5360	0.000	1	127.5360	0.000	1	127.5360	0.000	1	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:O-3:	C[5,6](C[5,6]Se[5,5]C[6])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]Se[5,5]C[6a])(OHH)	C[5,6](C[5,6]Se[5,5]C[6])(C[5]N[5]O)(C[6]C[6]H){1|H<1>,1|N<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Se<4>,1|C<2>,1|H<1>,1|N<3>,1|O<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]Se[5,5]C[6a])(OHH){1|C<2>,1|H<1>,1|N<4>,4|C<3>}	121.0450	0.000	1	121.0450	0.000	1	121.0450	0.000	1	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]S[5]2)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[5])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]S[5]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	133.7610	0.000	1	133.7610	0.000	1	133.7610	0.000	1	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6a]-3:	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2)	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	128.8530	0.546	2	128.8530	0.298	2	128.8530	0.298	2	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:H-1:	C[6a]-3:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]B[6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]H)	C[6](C[5,6]N[5,6]C[5])(C[6,6]N[6,6]C[6])(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5]C[6a]C[5])	C[5,6](N[5,6]B[6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]H){1|N<3>,1|O<1>,2|F<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]){1|B<4>,1|O<1>,2|H<1>,6|C<3>}	127.8460	0.000	1	127.8460	0.000	1	127.8460	0.000	1	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	129.5290	0.000	1	130.5020	2.478	3	130.5020	2.478	3	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Cl<1>,2|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,3|H<1>,7|C<3>}	129.6590	0.000	1	130.5020	2.478	3	130.5020	2.478	3	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	132.3180	0.000	1	130.5020	2.478	3	130.5020	2.478	3	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co){2|H<1>,5|C<3>}	136.4860	0.146	2	136.4860	0.021	2	137.5469	0.894	14	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cu)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cu){2|H<1>,5|C<3>}	137.3670	0.259	2	137.3670	0.067	2	137.5469	0.894	14	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe){2|H<1>,5|C<3>}	136.8010	0.000	1	136.8010	0.000	1	137.5469	0.894	14	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt){1|C<4>,2|H<1>,4|C<3>}	137.2820	0.000	1	137.3285	0.004	2	137.5469	0.894	14	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt){2|H<1>,5|C<3>}	137.3750	0.000	1	137.3285	0.004	2	137.5469	0.894	14	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Re)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Re){2|H<1>,5|C<3>}	137.7090	0.000	1	137.7090	0.000	1	137.5469	0.894	14	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Ru)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Ru<9>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Ru){2|H<1>,5|C<3>}	136.6865	0.032	2	136.6865	0.001	2	137.5469	0.894	14	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Co)	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Co){2|H<1>,4|C<3>}	138.9300	0.000	1	138.9300	0.000	1	137.5469	0.894	14	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Fe)	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Fe){2|H<1>,4|C<3>}	138.8270	0.333	3	138.8270	0.111	3	137.5469	0.894	14	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Au)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Au<2>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Au){3|H<1>,6|C<3>}	130.5400	0.000	1	130.5400	0.000	1	130.5400	0.000	1	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C-3:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)(CC[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<5>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)(CC[6]O){1|H<1>,3|C<3>}	136.2250	0.000	1	136.2250	0.000	1	136.2250	0.000	1	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C[6a]-3:	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,2|N<3>,2|S<2>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|N<3>,2|S<2>,3|H<1>,5|C<3>}	123.9960	0.348	2	123.9960	0.121	2	123.8943	0.092	3	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C[6a]-3:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){2|Cl<1>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|Cl<1>,1|S<2>,3|H<1>,5|C<3>}	123.6910	0.000	1	123.6910	0.000	1	123.8943	0.092	3	134.2107	23.406	42	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(CCHH)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|C<3>,2|H<1>,2|N<3>}	135.4958	0.477	6	136.7440	2.768	10	136.9798	1.815	16	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(CCHH)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|C<3>,2|H<1>,2|N<3>}	138.6163	0.368	4	136.7440	2.768	10	136.9798	1.815	16	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(CRhOO)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(CRhOO){2|C<3>,2|H<1>,2|N<3>}	137.6650	0.491	2	137.3728	0.164	6	136.9798	1.815	16	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])2(CRhOO)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])2(CRhOO){2|C<3>,2|H<1>,2|N<3>}	137.2267	0.329	4	137.3728	0.164	6	136.9798	1.815	16	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]B[6]C[5])(C[6]C[5,6]H)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3)	C[5,6](C[5,6]B[6]C[5])(C[6]C[5,6]H)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6](C[5,6]C[5,6]C[5])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	130.5895	0.210	2	130.5895	0.044	2	130.5895	0.044	2	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5](C[5,6]C[5,6]C[6])2(CCHH)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|O<1>,4|C<3>}	130.3230	0.000	1	129.8560	0.436	2	129.8560	0.436	2	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5](C[5,6]C[5,6]C[6])2(CCHH)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])2(CCHH){2|O<1>,4|C<3>}	129.3890	0.000	1	129.8560	0.436	2	129.8560	0.436	2	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Au)(CC3)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|Au<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Au)(CC3){1|H<1>,4|C<3>}	131.0880	0.000	1	131.0880	0.000	1	131.0880	0.000	1	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH){1|H<1>,3|C<3>}	134.5280	0.782	2	134.5280	0.612	2	134.0187	10.754	15	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]HH){1|H<1>,3|C<3>}	134.4590	0.000	1	134.4590	0.000	1	134.0187	10.754	15	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[5]3)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Co<6>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[5]3){1|H<1>,3|C<3>}	135.3635	0.622	2	135.3635	0.386	2	134.0187	10.754	15	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[6]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Co<5>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Co)(CC[6]CH){1|H<1>,3|C<3>}	135.1150	0.000	1	135.1150	0.000	1	134.0187	10.754	15	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cu)(CC[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cu<3>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cu)(CC[5]CH){1|H<1>,3|C<3>}	135.5230	0.445	2	135.5230	0.198	2	134.0187	10.754	15	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)(CC[6]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<5>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Fe)(CC[6]CH){1|H<1>,3|C<3>}	134.9690	0.000	1	134.9690	0.000	1	134.0187	10.754	15	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[5a]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[5a]HH){1|H<1>,3|C<3>}	134.7300	0.000	1	134.7300	0.000	1	134.0187	10.754	15	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<5>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]CH){1|H<1>,3|C<3>}	132.8605	0.856	2	132.8605	0.733	2	134.0187	10.754	15	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<5>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Zn)(CC[6]HH){1|H<1>,3|C<3>}	134.7000	0.000	1	134.7000	0.000	1	134.0187	10.754	15	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]C[6]N[5])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]Zn)(CH3)	C[5,6](N[5,6]C[6]N[5])(C[5]N[5]C)(C[6]C[6]H){1|Zn<4>,1|H<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]N[5]Zn)(CH3){1|H<1>,2|C<3>}	136.9410	0.000	1	136.9410	0.000	1	134.0187	10.754	15	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C-4:	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]In[5]N)(CH3)	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]In[5]N)(CH3){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	122.8170	0.000	1	122.8170	0.000	1	134.0187	10.754	15	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|S<2>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,2|N<3>,2|S<2>,3|C<3>}	123.1730	0.075	2	123.1730	0.006	2	122.9110	0.569	13	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	124.6450	0.000	1	124.6450	0.000	1	122.9110	0.569	13	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]In[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,5]In[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]In[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|S<2>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]In[4x5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|H<1>,2|N<3>,2|S<2>,3|C<3>}	122.8455	0.705	4	122.8455	0.497	4	122.9110	0.569	13	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|Se<2>,2|Br<1>,1|C<3>,1|N<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){1|Se<2>,2|Br<1>,1|H<1>,3|C<3>}	122.7010	0.000	1	122.5783	0.302	6	122.9110	0.569	13	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Br<1>,1|C<3>,1|N<2>,1|O<3>,1|S<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Br<1>,1|H<1>,1|O<3>,1|S<2>,3|C<3>}	122.6500	0.000	1	122.5783	0.302	6	122.9110	0.569	13	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	122.8420	0.000	1	122.5783	0.302	6	122.9110	0.569	13	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|O<3>,1|S<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,1|O<3>,1|S<2>,3|C<3>}	123.3260	0.000	1	122.5783	0.302	6	122.9110	0.569	13	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C-4:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,5]In[5,5]N[5])(C[5,6]N[5,6]C[6])(CH3){2|Cl<1>,1|H<1>,2|S<2>,3|C<3>}	121.9755	0.366	2	122.5783	0.302	6	122.9110	0.569	13	131.6690	35.949	49	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]O)(C[6]C[6]H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,3|H<1>}	128.1530	0.000	1	128.1530	0.000	1	128.1530	0.000	1	128.1963	55.593	3	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Os2)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H){1|Os<5>,1|Os<6>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Os2)(H){1|C<4>,1|H<1>,2|C<3>}	135.6740	0.000	1	135.6740	0.000	1	135.6740	0.000	1	128.1963	55.593	3	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:P[5]-4:H-1:	C[5,6](N[5,6]Ga[5]C[6])(C[5]P[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(P[5]Ga[5]CC)(H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]P[5]H)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|P<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(P[5]Ga[5]CC)(H){2|Cl<1>,1|H<1>,2|C<3>}	120.7620	0.000	1	120.7620	0.000	1	120.7620	0.000	1	128.1963	55.593	3	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C-2:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CRu)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CRu){2|C<3>,3|H<1>}	131.1020	0.000	1	131.1020	0.000	1	131.1020	0.000	1	131.1020	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C-4:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<5>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe){1|H<1>,3|C<3>}	135.4030	0.000	1	134.1827	2.090	3	134.1827	2.090	3	133.7456	2.061	5	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C-4:N[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(CC[5]2C[6])(N[5]C[5]Fe){1|H<1>,3|C<3>}	133.5725	1.395	2	134.1827	2.090	3	134.1827	2.090	3	133.7456	2.061	5	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(COO)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]C)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H){2|C<4>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	131.9430	0.000	1	131.9430	0.000	1	131.9430	0.000	1	133.7456	2.061	5	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:N-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(NOO)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(NOO){1|N<2>,2|H<1>,4|C<3>}	134.2370	0.000	1	134.2370	0.000	1	134.2370	0.000	1	133.7456	2.061	5	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,5]C[5,5]P[5]H)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]C[6]H){1|C<2>,2|P<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]P[5]H)(C[5,6]C[5,6]C[6])(H){2|C<3>,2|P<3>,3|H<1>}	128.8460	0.000	1	128.8460	0.000	1	128.8460	0.000	1	128.1795	0.888	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:O-1:	C[5,5]-4:C[5,6]-3:H-1:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]N[6]O)	C[6](C[5,6]N[5,6]C[5])(N[6]C[6]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6])(H)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,5]C[5a])(C[5,6]N[5,6]C[6])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	127.5130	0.000	1	127.5130	0.000	1	127.5130	0.000	1	128.1795	0.888	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	133.1340	0.000	1	133.1340	0.000	1	133.7906	0.390	8	133.2133	1.805	10	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	134.1100	0.253	2	134.1100	0.064	2	133.7906	0.390	8	133.2133	1.805	10	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	133.7942	0.712	5	133.7942	0.507	5	133.7906	0.390	8	133.2133	1.805	10	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]C)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHH)	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O){1|C<4>,1|N<3>,3|C<3>}	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	130.5990	0.000	1	130.5990	0.000	1	130.5990	0.000	1	133.2133	1.805	10	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[4,5]-4:C[5,6]-3:C[6a]-3:	C[5,6](N[5,6]B[4,5]C[6])(C[5]C[4,5]C[6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[4,5]B[4,5]C[6a]C[4])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[5,6](N[5,6]B[4,5]C[6])(C[5]C[4,5]C[6a])(C[6]C[6]H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[4,5]B[4,5]C[6a]C[4])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,7|C<3>}	131.2090	0.000	1	131.2090	0.000	1	131.2090	0.000	1	133.2133	1.805	10	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:C-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](N[5,6]In[5,5]C[6])(C[5]O[5]O)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(COO)	C[5](C[5,6]N[5,6]C[6])(O[5]In[5,5])(O)	C[5,6](N[5,6]In[5,5]C[6])(C[5]O[5]O)(C[6]C[6]C){1|C<3>,1|N<3>,1|O<3>,2|H<1>,2|O<2>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(COO){1|In<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,6]N[5,6]C[6])(O[5]In[5,5])(O){1|N<3>,1|O<3>,2|O<2>,3|C<3>}	123.1405	0.064	2	123.1405	0.004	2	123.1405	0.004	2	123.1405	0.004	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[6]-3:N[5,6]-3:C[5]-3:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-2:C-4:	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5])(CH3)	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,1|C<2>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5])(CH3){1|B<4>,1|C<4>,2|C<3>}	132.8770	1.386	2	132.8770	1.921	2	132.8770	1.921	2	132.8770	1.921	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[6]C[6a]C[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[5](C[5,6]C[5,6,6]C[6])(N[5]C[5,6]C[6a])(O)	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[6]C[6a]C[6])(C[5]N[5]O){1|C<2>,1|N<2>,5|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6])(N[5]C[5,6]C[6a])(O){1|N<2>,1|N<3>,4|C<3>}	134.0257	0.100	3	134.0257	0.010	3	134.0257	0.010	3	134.0386	9.160	5	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5,6]-3:C[5]-3:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(H)	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]H)(H){1|B<4>,1|O<1>,2|C<3>}	129.7790	0.000	1	129.7790	0.000	1	129.7790	0.000	1	134.0386	9.160	5	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](N[5,6]C[6,6a]N[5])(C[6]C[6a]C[6])(C[5]C[5]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6])(C[5]N[5]H)(H)	C[5,6](N[5,6]C[6,6a]N[5])(C[6]C[6a]C[6])(C[5]C[5]H){1|Rh<8>,1|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]N[5]H)(H){1|Rh<8>,3|C<3>}	138.3370	0.000	1	138.3370	0.000	1	138.3370	0.000	1	134.0386	9.160	5	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:4:	3:2:1:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]O[5]O){1|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,2|C<4>,2|O<2>}	129.6700	0.000	1	129.6700	0.000	1	129.6700	0.000	1	129.6700	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:C-4:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]N[5,6]C)	C[6](C[5,6]N[5,6]C[5])(N[5,6]C[5,6]B[5])(CH3)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]N[5,6]C){1|Cl<1>,1|B<4>,1|C<4>,5|C<3>}	C[6](C[5,6]N[5,6]C[5])(N[5,6]C[5,6]B[5])(CH3){1|Cl<1>,1|B<4>,6|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,6|C<3>}	129.7550	0.048	2	129.7550	0.002	2	129.7550	0.002	2	129.7550	0.002	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:4:1:	3:3:1:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6a]N[6]N)(H)	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6a]N[6]N)(H){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<3>}	133.5360	0.000	1	133.5360	0.000	1	133.5360	0.000	1	133.5360	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:4:1:	3:3:2:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:N-2:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]2H)(H)	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]N)(NC[6a])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]2H)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]N)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	132.5000	0.000	1	132.5000	0.000	1	133.6110	0.939	3	133.6110	0.939	3	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:4:1:	3:3:2:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:N-2:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]N)(NC[6a])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]N)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	134.1665	0.163	2	134.1665	0.027	2	133.6110	0.939	3	133.6110	0.939	3	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5,6,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[5]-3:C[5a]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5a]C[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(C[5a]C[5a]2)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5a]C[5])(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(O){3|C<3>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(C[5a]C[5a]2){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	131.0150	0.000	1	131.0150	0.000	1	131.0150	0.000	1	131.8483	0.832	3	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]C)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCO)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]C)(C[6]C[6]O){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CCO){1|O<1>,2|C<4>}	132.2650	0.789	2	132.2650	0.623	2	132.2650	0.623	2	131.8483	0.832	3	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:4:1:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]2O[5])(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]2O[5])(O){1|O<1>,2|C<4>,4|C<3>}	130.6880	0.000	1	130.6880	0.000	1	130.6880	0.000	1	130.6880	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:N[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CCH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(CCH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CCH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(CCH){1|C<3>,1|O<1>,2|C<4>}	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H){1|C<4>,2|C<3>}	133.9060	0.000	1	133.6140	0.171	2	133.6140	0.171	2	133.6140	0.171	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	3:4:3:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H){1|C<4>,2|C<3>}	133.3220	0.000	1	133.6140	0.171	2	133.6140	0.171	2	133.6140	0.171	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:	4:3:4:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]C){1|Ru<8>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3){2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	131.7410	0.000	1	131.7410	0.000	1	131.7410	0.000	1	131.7410	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	129.7320	0.000	1	129.7320	0.000	1	129.7320	0.000	1	129.7320	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:2:1:	3:2:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:O[6]-2:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5])(O[6]C[6])(H)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]O[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:2:1:	C[5,5,6,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,5,6,6]C[5,5,6]2O[6])(C[6]C[6,6a]H)(C[5]O[5]O)	C[6](C[5,6]C[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	C[5](C[5,6]C[5,5,6,6]C[6])(O[5]C[5,5,6])(O)	C[5,6](C[5,5,6,6]C[5,5,6]2O[6])(C[6]C[6,6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[5](C[5,6]C[5,5,6,6]C[6])(O[5]C[5,5,6])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.0100	0.000	1	126.0100	0.000	1	126.0100	0.000	1	129.1250	19.406	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:O[5]-2:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	132.2400	0.000	1	132.2400	0.000	1	132.2400	0.000	1	129.1250	19.406	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:2:4:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:O[5]-2:C-4:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O)	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]C)(O)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(CH3)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]O[5]C)(C[6]N[6]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	128.4750	0.000	1	128.4750	0.000	1	128.4750	0.000	1	128.4750	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[4,5,6]-4:C[6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[6]C[6,6a]H)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]C[5])(H)	C[5](C[5,6]C[4,5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[6]C[6,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[4,5,6]C[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	127.3600	0.000	1	127.3600	0.000	1	127.3600	0.000	1	131.2613	10.196	15	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]O[5]O)(H){1|C<3>,1|H<1>,2|C<4>}	135.9420	0.000	1	135.9420	0.000	1	132.2420	27.380	2	131.2613	10.196	15	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6a]H)(H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	128.5420	0.000	1	128.5420	0.000	1	132.2420	27.380	2	131.2613	10.196	15	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,5,6]C[6])(N[5]C[6a]C[5])(O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]O)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	126.9335	0.622	2	126.9335	0.386	2	126.9335	0.386	2	131.2613	10.196	15	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]H)(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(H){1|C<3>,1|H<1>,2|C<4>}	132.3850	0.000	1	132.3850	0.000	1	132.3850	0.000	1	131.2613	10.196	15	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(H){1|C<3>,1|H<1>,2|C<4>}	131.9490	0.348	3	131.9490	0.121	3	133.7472	6.454	5	131.2613	10.196	15	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]Ru)(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(H)	C[5,6](C[5,6]C[5]C[6]Ru)(C[5]C[5]H)(C[6]C[6]H){1|Ru<5>,1|H<1>,1|P<5>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Ru<7>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(H){1|Ru<7>,1|C<4>,1|H<1>,1|P<5>,3|C<3>}	136.4445	1.150	2	136.4445	1.324	2	133.7472	6.454	5	131.2613	10.196	15	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(O){1|C<3>,1|O<2>,4|H<1>}	130.6900	0.000	1	130.6900	0.000	1	130.6900	0.000	1	131.2613	10.196	15	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:1:	P[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](P[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]H)(C[6]C[6]H)	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H)	C[5,6](P[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	130.7500	0.000	1	130.7500	0.000	1	130.4657	0.089	3	131.2613	10.196	15	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:1:	P[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](P[5,6]C[5,6a]C[6,6a]S)(C[5]C[5,6a]H)(C[6]C[6]H)	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H)	C[5,6](P[5,6]C[5,6a]C[6,6a]S)(C[5]C[5,6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H){1|H<1>,1|S<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){1|S<1>,2|H<1>,4|C<3>}	130.1560	0.000	1	130.1560	0.000	1	130.4657	0.089	3	131.2613	10.196	15	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:1:	P[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](P[5,6]C[5,6a]C[6,6a]Se)(C[5]C[5,6a]H)(C[6]C[6]H)	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H)	C[5,6](P[5,6]C[5,6a]C[6,6a]Se)(C[5]C[5,6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H){1|Se<1>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){1|Se<1>,2|H<1>,4|C<3>}	130.4910	0.000	1	130.4910	0.000	1	130.4657	0.089	3	131.2613	10.196	15	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|C<3>,6|H<1>}	130.8060	0.000	1	130.8060	0.000	1	129.4630	3.607	2	129.4630	3.607	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:2:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,5])	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,5]){2|C<4>,4|C<3>,4|H<1>}	128.1200	0.000	1	128.1200	0.000	1	129.4630	3.607	2	129.4630	3.607	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(COO)	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5]C[5]C)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	132.5350	0.000	1	132.5350	0.000	1	132.5350	0.000	1	129.7322	3.554	8	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]C[5])(H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6,6a]H){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]C[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	129.9430	0.000	1	129.9430	0.000	1	129.9430	0.000	1	129.7322	3.554	8	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCC)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCC){1|C<3>,2|C<4>,3|H<1>}	128.6685	0.349	2	128.6685	0.122	2	128.6685	0.122	2	129.7322	3.554	8	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	129.9660	0.000	1	129.9660	0.000	1	128.8135	2.657	2	129.7322	3.554	8	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6a]-3:	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]Si[5,6]N)(C[6a]C[6a]2)	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|N<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]Si[5,6]N)(C[6a]C[6a]2){2|N<3>,4|C<3>,4|H<1>}	127.6610	0.000	1	127.6610	0.000	1	128.8135	2.657	2	129.7322	3.554	8	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,5a]-3:C[5,6]-3:C[5a]-3:	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O){1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	132.4210	0.000	1	132.4210	0.000	1	132.4210	0.000	1	129.7322	3.554	8	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O){1|H<1>,1|O<2>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	127.9950	0.000	1	127.9950	0.000	1	127.9950	0.000	1	129.7322	3.554	8	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H){1|H<1>,2|C<3>,2|C<4>}	129.3797	0.536	3	129.3797	0.288	3	129.3797	0.288	3	129.2552	1.930	9	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	130.5230	0.361	2	130.5230	0.130	2	130.5230	0.130	2	129.2552	1.930	9	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,4|H<1>}	127.2630	0.000	1	127.2630	0.000	1	127.2630	0.000	1	129.2552	1.930	9	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]C)(O){1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	126.7640	0.000	1	126.7640	0.000	1	126.7640	0.000	1	129.2552	1.930	9	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	3:4:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,4|H<1>}	130.0425	0.250	2	130.0425	0.062	2	130.0425	0.062	2	129.2552	1.930	9	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[3,5]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	126.1670	0.000	1	126.1670	0.000	1	126.1670	0.000	1	126.1670	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:2:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-2:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(OH)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O){1|O<2>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	131.6090	0.000	1	131.6090	0.000	1	131.6090	0.000	1	132.0743	0.186	3	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:2:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-2:	C[5,5a]-3:C[5,6]-3:C[5a]-3:	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O){1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|B<4>,2|O<2>,3|H<1>,5|C<3>}	132.3070	0.218	2	132.3070	0.047	2	132.3070	0.047	2	132.0743	0.186	3	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:2:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:C-2:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]H)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CN)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]H)(C[6]C[6]C){1|N<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	129.6070	0.000	1	129.6070	0.000	1	129.6070	0.000	1	129.6070	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:2:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-2:	C[5,5]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(OH)	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]O)(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	128.1640	0.000	1	128.1640	0.000	1	128.1640	0.000	1	128.1640	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5,6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|H<1>,8|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,6|C<3>}	130.4490	0.000	1	130.4490	0.000	1	130.4490	0.000	1	131.2208	1.402	4	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	130.6520	0.000	1	130.6520	0.000	1	130.6520	0.000	1	131.2208	1.402	4	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:N[6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6]C[6a]N[6])(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6]C[6a]N[6])(C[5]C[5]O){1|O<1>,8|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,2|N<3>,2|O<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(O){2|N<3>,3|C<3>}	131.8910	1.546	2	131.8910	2.389	2	131.8910	2.389	2	131.2208	1.402	4	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[5]-2:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6])	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[5](C[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6]){1|H<1>,2|C<4>,8|C<3>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	135.4970	0.000	1	135.4970	0.000	1	135.4970	0.000	1	135.4970	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:	3:4:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:C-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HH)(CCC)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HH)(CCC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	131.8600	0.000	1	131.8600	0.000	1	131.8600	0.000	1	131.8600	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:C-3:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5,5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH)	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC)	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5,5]C)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC){2|C<3>,2|H<1>,3|C<4>}	129.9170	0.481	2	129.9170	0.231	2	129.9170	0.231	2	129.9170	0.231	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:4:	3:2:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5a,6]-3:C[5,6]-3:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5a,6]C)(C[5]O[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5a,6]C)(C[5]O[5]O){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3){1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|H<1>,2|C<3>,3|C<4>}	127.0280	0.000	1	127.0280	0.000	1	127.0280	0.000	1	127.0280	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[5]C[5,6a]O)(C[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[5]C[5,6a]O)(C[6]C[6,6a]C){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	129.5810	0.000	1	129.5810	0.000	1	129.5810	0.000	1	129.3690	0.090	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:C[5a]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	129.1570	0.000	1	129.1570	0.000	1	129.1570	0.000	1	129.3690	0.090	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:4:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	131.0770	0.000	1	131.0770	0.000	1	131.0770	0.000	1	131.0770	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:3:4:	3:4:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:Si-4:	C[5,6]-3:C[5]-4:C[6a]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]B[6])(SiC3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si){1|Si<4>,1|B<3>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]B[6])(SiC3){1|H<1>,3|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,3|C<3>,3|H<1>}	129.7125	0.019	2	129.7125	0.000	2	129.7125	0.000	2	129.7125	0.000	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]O)(C[6]C[6]H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])(O){1|O<2>,2|H<1>,3|C<4>}	124.9770	0.000	1	124.9770	0.000	1	124.9770	0.000	1	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,5,6]-4:C[6]-3:C[5]-3:	C[5,6]-3:C[6,6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,3x6]C[3,5]C[5])(C[6]C[6,6]H)(C[5]O[5]O)	C[6](C[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]C)(H)	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,5,6]C[5,3x6]C[3,5]C[5])(C[6]C[6,6]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]C)(H){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	127.9135	0.678	2	127.9135	0.460	2	127.9135	0.460	2	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[3,6]HO)(H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[3,6]HO)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	121.3650	0.000	1	121.3650	0.000	1	123.9483	5.622	7	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])(O){1|C<3>,2|H<1>,3|C<4>}	126.6855	0.491	2	126.6855	0.242	2	123.9483	5.622	7	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	122.4000	0.000	1	122.1720	0.104	2	123.9483	5.622	7	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	121.9440	0.000	1	122.1720	0.104	2	123.9483	5.622	7	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	124.2790	2.280	2	124.2790	5.197	2	123.9483	5.622	7	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	126.1260	0.000	1	126.1260	0.000	1	126.9969	0.332	16	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	126.8470	0.000	1	126.8470	0.000	1	126.9969	0.332	16	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|O<2>,2|C<4>,3|H<1>}	125.9480	0.000	1	126.7465	1.275	2	126.9969	0.332	16	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	127.5450	0.000	1	126.7465	1.275	2	126.9969	0.332	16	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	127.5970	0.000	1	127.5970	0.000	1	126.9969	0.332	16	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,2|C<4>,3|H<1>}	127.2953	0.731	3	127.2953	0.534	3	126.9969	0.332	16	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|O<2>,2|C<4>,3|H<1>}	127.1153	0.404	3	127.0002	0.158	8	126.9969	0.332	16	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	127.1960	0.000	1	127.0002	0.158	8	126.9969	0.332	16	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,4|H<1>}	126.8650	0.459	4	127.0002	0.158	8	126.9969	0.332	16	126.1690	3.687	26	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:N[5,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	126.6795	0.747	2	126.6795	0.559	2	126.6795	0.559	2	126.5443	0.345	4	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:N[5,6]-3:S-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]S)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(S)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]S)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|S<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(S){2|C<3>,3|C<4>,4|H<1>}	126.8580	0.000	1	126.8580	0.000	1	126.8580	0.000	1	126.5443	0.345	4	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(O){2|C<3>,2|C<4>,2|H<1>}	125.9600	0.000	1	125.9600	0.000	1	125.9600	0.000	1	126.5443	0.345	4	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CCC)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CCC){3|C<4>,3|H<1>}	128.5360	0.000	1	128.5360	0.000	1	128.5360	0.000	1	128.5360	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3){1|H<1>,1|O<1>,2|C<4>}	126.7810	0.000	1	126.7810	0.000	1	126.7810	0.000	1	126.7810	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,2|H<1>,3|C<4>}	124.6390	0.000	1	124.6390	0.000	1	124.6375	0.000	2	124.6375	0.000	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(O){2|C<4>,4|H<1>}	124.6360	0.000	1	124.6360	0.000	1	124.6375	0.000	2	124.6375	0.000	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]O)(C[6]C[6]H){1|N<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[6])(O){1|C<3>,4|C<4>,4|H<1>}	124.8260	0.000	1	124.8260	0.000	1	124.8260	0.000	1	124.8260	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:3:	3:3:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]H)(CCC)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]H)(CCC){1|C<3>,2|O<2>,3|C<4>}	132.0500	0.000	1	132.0500	0.000	1	132.0500	0.000	1	132.0500	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:3:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[5]-3:Si-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]Si)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(SiC3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]Si)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCH){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(SiC3){1|C<3>,2|H<1>,3|C<4>}	129.1645	0.220	2	129.1645	0.048	2	129.1645	0.048	2	129.1645	0.048	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:3:	3:4:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HO)(CCC)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HO)(CCC){1|C<3>,2|H<1>,3|C<4>}	130.6620	0.000	1	130.6620	0.000	1	130.9520	0.259	3	130.9520	0.259	3	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:3:	3:4:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HH)(CCC)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,3x6]C[6])(C[5]C[5,6,6]HH)(CCC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	131.0970	0.626	2	131.0970	0.392	2	130.9520	0.259	3	130.9520	0.259	3	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:3:	3:4:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(CCH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(CCH){2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	129.4100	0.000	1	129.4100	0.000	1	129.4100	0.000	1	129.4100	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:3:	4:3:3:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,5]-4:C[5,6]-3:C-3:	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH)	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC)	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]O)(C[5]C[5,5]C)(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6,6]O[5]H)(C[5,6]C[5,3x6]C[6])(CCC){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	130.8900	0.000	1	130.8900	0.000	1	130.8900	0.000	1	130.8900	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:4:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]O[6]O)(C[5]O[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CC)(CH3)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]O[6]O)(C[5]O[5]O)(C[6]C[6]C){1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CC)(CH3){1|C<4>,1|O<1>,3|O<2>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5,6])(O){2|O<2>,4|C<4>}	127.8790	0.000	1	127.8790	0.000	1	127.4963	0.671	9	127.4963	0.671	9	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:4:	3:2:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|H<1>,4|C<4>}	127.4485	0.862	8	127.4485	0.744	8	127.4963	0.671	9	127.4963	0.671	9	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:4:	3:3:1:	C[3x5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]O)(C[6]C[6]C)	C[6](C[5,6]C[3x5,6]C[5])(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[3x5,6]C[6])(C[5]C[5,5]Si)(O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]O)(C[6]C[6]C){1|Si<4>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[3x5,6]C[5])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[3x5,6]C[6])(C[5]C[5,5]Si)(O){5|C<4>}	128.5340	0.000	1	128.5340	0.000	1	128.5340	0.000	1	128.5340	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:4:	3:3:4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2){1|N<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(CH3){3|C<4>,3|H<1>}	132.5660	0.000	1	132.5660	0.000	1	132.5660	0.000	1	132.5660	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:4:	3:4:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(CCCH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|N<3>,8|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]HH)(CCCH){1|C<3>,1|S<4>,4|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH){2|H<1>,4|C<4>}	129.9950	0.000	1	129.9950	0.000	1	129.9950	0.000	1	130.3525	0.256	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	3:4:4:	3:4:3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]2){1|N<3>,2|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]N[6]HH){1|C<3>,1|S<4>,5|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH){3|C<4>,3|H<1>}	130.7100	0.000	1	130.7100	0.000	1	130.7100	0.000	1	130.3525	0.256	2	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]O)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){3|C<4>,3|H<1>}	125.7370	0.000	1	125.7370	0.000	1	125.7370	0.000	1	125.7370	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	4:3:1:	3:4:4:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C)	C[6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6,6]C[5])(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]C){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6,6]C[5])(O){1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	128.2680	0.000	1	128.2680	0.000	1	128.2680	0.000	1	128.2680	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:	4:3:4:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-3:	C[6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C)(C[5]C[5]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]C)(C[5]C[5]H){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]H)(H){3|C<4>,3|H<1>}	130.0180	0.000	1	130.0180	0.000	1	130.0180	0.000	1	130.0180	0.000	1	130.6359	21.550	350	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6,6]	C[5]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:	C[5]-3:C[3x6]-4:C[3x6]-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]2)(C[5]C[5]H)	C[6,6](C[5]C[5,6a]C[5])(C[3x6]C[6,6]2H)2	C[5](C[5]C[5,6a]C[6,6])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]2)(C[5]C[5]H){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5]C[5,6a]C[5])(C[3x6]C[6,6]2H)2{2|C<4>,3|C<3>,9|H<1>}	C[5](C[5]C[5,6a]C[6,6])(C[5]C[5,6a]H)(H){2|C<3>,2|C<4>}	125.2280	0.000	1	125.2280	0.000	1	125.2280	0.000	1	125.2280	0.000	1	126.4348	8.762	11	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6,6]	C[5]	3:3:3:	4:4:3:	3:2:1:	C[6,6]-3:C[5]-3:C[5]-3:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6,6]C[3x6]2)(C[5]C[5]C)(C[5]O[5]O)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)	C[5](C[5]C[6,6]C[5])(O[5]C[5])(O)	C[5](C[6,6]C[3x6]2)(C[5]C[5]C)(C[5]O[5]O){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[5](C[5]C[6,6]C[5])(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>}	122.5777	0.275	3	122.5777	0.076	3	122.5777	0.076	3	122.5777	0.076	3	126.4348	8.762	11	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6,6]	C[5]	3:3:3:	4:4:3:	3:3:1:	C[6,6]-3:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[6,6]C[6,6]2)(C[5]C[5,6a]O)2	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6,6]C[5])(O)	C[5](C[6,6]C[6,6]2)(C[5]C[5,6a]O)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6,6]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	126.8780	0.235	4	126.8780	0.055	4	126.8780	0.055	4	126.8780	0.055	4	126.4348	8.762	11	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6,6]	C[5]	3:3:3:	4:4:3:	3:3:3:	C[6,6]-3:C[5]-3:C[5]-3:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6,6]C[3x6]2)(C[5]C[5]C)(C[5]O[5]O)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)	C[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5]C)	C[5](C[6,6]C[3x6]2)(C[5]C[5]C)(C[5]O[5]O){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5]C){1|O<1>,2|C<4>}	130.2560	0.000	1	130.2560	0.000	1	130.1033	0.026	3	130.1033	0.026	3	126.4348	8.762	11	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6,6]	C[5]	3:3:3:	4:4:3:	3:3:3:	C[6,6]-3:C[5]-3:C[5]-3:	C[3x6]-4:C[3x6]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6,6]C[3x6]2)(C[5]C[5]C)(C[5]O[5]O)	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2)	C[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5a]C)	C[5](C[6,6]C[3x6]2)(C[5]C[5]C)(C[5]O[5]O){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[5](C[5]C[6,6]C[5])(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	130.0270	0.129	2	130.0270	0.017	2	130.1033	0.026	3	130.1033	0.026	3	126.4348	8.762	11	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:3:2:	3:3:2:	3:3:2:	C[5,6]-3:C[6]-3:C[5]-2:	C[5]-3:C[6]-3:C[6]-2:	N[5,6]-3:C[5]-3:C[6]-2:	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]2)(C[5]C[5])	C[6](C[5]C[5,6]C[5])(C[6]C[6]N)(C[6]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C[6])(C[6]C[6])	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]2)(C[5]C[5]){1|C<3>,1|N<3>,4|C<2>}	C[6](C[5]C[5,6]C[5])(C[6]C[6]N)(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C[6])(C[6]C[6]){2|C<2>,2|C<3>}	128.1180	0.000	1	128.1180	0.000	1	128.1180	0.000	1	128.1180	0.000	1	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co){2|H<1>,5|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|N<3>,2|H<1>,3|C<3>}	134.3680	0.044	2	134.3680	0.002	2	133.7836	0.597	14	133.7836	0.597	14	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cu)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cu){2|H<1>,5|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	133.2670	0.214	2	133.2670	0.046	2	133.7836	0.597	14	133.7836	0.597	14	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe){2|H<1>,5|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|N<3>,2|H<1>,3|C<3>}	134.3860	0.000	1	134.3860	0.000	1	133.7836	0.597	14	133.7836	0.597	14	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	134.4090	0.000	1	134.3215	0.015	2	133.7836	0.597	14	133.7836	0.597	14	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt){2|H<1>,5|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	134.2340	0.000	1	134.3215	0.015	2	133.7836	0.597	14	133.7836	0.597	14	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Re)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Re){2|H<1>,5|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	131.8320	0.000	1	131.8320	0.000	1	133.7836	0.597	14	133.7836	0.597	14	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Ru)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Ru){2|H<1>,5|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Ru<9>,1|N<3>,2|H<1>,3|C<3>}	133.8165	0.288	2	133.8165	0.083	2	133.7836	0.597	14	133.7836	0.597	14	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Co)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Co){2|H<1>,4|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	133.8130	0.000	1	133.8130	0.000	1	133.7836	0.597	14	133.7836	0.597	14	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Fe)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Fe){2|H<1>,4|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	133.7977	0.907	3	133.7977	0.822	3	133.7836	0.597	14	133.7836	0.597	14	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:4:3:	3:3:3:	3:3:4:	C[5,6]-3:P[5]-4:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])	C[6](C[5]C[5,6]P[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6]){3|C<3>,4|C<4>,4|H<1>}	C[6](C[5]C[5,6]P[5])(N[6]C[6]Pd)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	131.4350	0.000	1	131.4350	0.000	1	128.2042	2.731	16	128.2042	2.731	16	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:4:3:	3:3:3:	3:3:4:	C[5,6]-3:P[5]-4:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6]C[6]N[6])	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6]C[6]N[6]){1|Cu<4>,2|C<4>,3|H<1>,5|C<3>}	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	126.0160	0.000	1	126.0160	0.000	1	128.2042	2.731	16	128.2042	2.731	16	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:4:3:	3:3:3:	3:3:4:	C[5,6]-3:P[5]-4:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6]C[6]N[6])	C[6](C[5]C[5,6]P[5])(N[6]C[6]Re)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5]C[5,6]P[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	129.1345	0.634	2	129.1345	0.402	2	128.2042	2.731	16	128.2042	2.731	16	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	3:4:3:	3:3:3:	3:3:4:	C[5,6]-3:P[5]-4:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]S)(C[6]C[6]N[6])	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]S)(C[6]C[6]N[6]){1|Cu<4>,2|C<4>,3|H<1>,5|C<3>}	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<3>,3|C<3>,4|H<1>}	127.9622	1.443	12	127.9622	2.082	12	128.2042	2.731	16	128.2042	2.731	16	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5,6]	5:3:3:	3:3:3:	3:3:4:	P[5]-5:C[5,6]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](P[5]C[6a]C[5]Cu2)(C[5,6]C[5,6]C[6])(C[6]C[6]N[6])	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH)	C[5](P[5]C[6a]C[5]Cu2)(C[5,6]C[5,6]C[6])(C[6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5])(C[6]C[6]HH){2|Cu<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	130.9660	0.979	4	130.9660	0.958	4	130.9660	0.958	4	130.9660	0.958	4	130.7491	8.566	35	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:2:	3:2:2:	3:3:2:	C[5]-3:C[6]-3:N[5]-2:	C[5]-3:C[6]-2:C[6]-2:	C[5]-3:C[6]-3:N[5]-2:	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]N[5])	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]N[5])	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]N[5]){4|C<2>}	C[6](C[5]C[5]N[5])(C[6]C[6])2{2|C<3>,2|N<2>}	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]N[5]){4|C<2>}	132.1873	1.134	6	132.1873	1.285	6	132.1873	1.285	6	132.1873	1.285	6	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[5]-3:N[5]-2:	C[5]-3:C[6]-3:O[6]-2:	C[5]-3:C[5]-3:F-1:	C[5](C[6]C[6]O[6])(C[5]C[5]F)(N[5]C[5])	C[6](C[5]C[5]N[5])(C[6]C[6]H)(O[6]B[6])	C[5](C[5]C[6]N[5])(C[5]C[5]F)(F)	C[5](C[6]C[6]O[6])(C[5]C[5]F)(N[5]C[5]){1|B<4>,1|C<3>,1|F<1>,2|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(O[6]B[6]){1|O<2>,3|C<3>,3|F<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]F)(F){1|C<3>,1|H<1>,1|O<2>}	128.3210	0.380	2	128.3210	0.145	2	128.3210	0.145	2	128.3210	0.145	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[5]-3:C[6]-3:S[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5]S[5]H)(C[6]C[6]2)(S[5]C[5])	C[6](C[5]C[5]S[5])(C[6]C[6]H)2	C[5](C[5]C[6]S[5])(S[5]C[5])(H)	C[5](C[5]S[5]H)(C[6]C[6]2)(S[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5]C[5]S[5])(C[6]C[6]H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[5](C[5]C[6]S[5])(S[5]C[5])(H){3|C<3>}	125.0230	0.671	4	125.0230	0.450	4	125.0230	0.450	4	125.0230	0.450	4	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:2:	3:3:3:	3:2:2:	C[6]-3:C[5]-3:S[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:S[5]-2:S-2:	C[5](C[6]C[6]N[6])(C[5]S[5]S)(S[5]C[5])	C[6](C[5]C[5]S[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](C[5]C[6]S[5])(S[5]C[5])(SZn)	C[5](C[6]C[6]N[6])(C[5]S[5]S)(S[5]C[5]){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[5]C[5]S[5])(N[6]C[6]Zn)(C[6]C[6]H){2|C<3>,2|H<1>,2|S<2>}	C[5](C[5]C[6]S[5])(S[5]C[5])(SZn){1|N<3>,2|C<3>}	131.4610	0.000	1	131.4610	0.000	1	131.4610	0.000	1	131.4610	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[5]-3:C[6]-3:S[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5]N[5]N)(C[6]C[6]2)(S[5]S[5])	C[6](C[5]C[5]S[5])(C[6]O[6]O)2	C[5](C[5]C[6]S[5])(N[5]S[5])(NCC)	C[5](C[5]N[5]N)(C[6]C[6]2)(S[5]S[5]){2|O<1>,2|O<2>}	C[6](C[5]C[5]S[5])(C[6]O[6]O)2{1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5](C[5]C[6]S[5])(N[5]S[5])(NCC){2|C<3>}	128.3830	0.000	1	128.3830	0.000	1	128.3830	0.000	1	128.3830	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[6]-3:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5])	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){3|C<3>}	127.6350	0.000	1	127.6350	0.000	1	127.6350	0.000	1	127.5000	0.036	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[5]-3:N[5]-2:	C[5]-3:C[6]-3:N[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(C[5]N[5]H)(N[5]N[5])	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C)	C[5](C[5]C[6]N[5])(N[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(C[5]N[5]H)(N[5]N[5]){1|Ir<8>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6]N[5])(N[5]C[6]N[5])(H){1|Ir<8>,2|C<3>,2|N<3>}	127.3650	0.000	1	127.3650	0.000	1	127.3650	0.000	1	127.5000	0.036	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6]-3:N[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6]C[6]2)(N[5]C[5])	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6]C[6]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<2>,2|C<4>,3|C<3>}	C[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	130.1690	0.000	1	130.1690	0.000	1	130.1690	0.000	1	127.8750	0.957	13	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6]-3:S[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6]-3:S[5]-2:	C[5](C[5]C[6]S[5])(C[6]C[6]2)(S[5]C[5])	C[6](C[5]C[5]S[5])(C[6]C[6]H)2	C[5](C[5]C[6]S[5])(C[6]C[6]2)(S[5]C[5])	C[5](C[5]C[6]S[5])(C[6]C[6]2)(S[5]C[5]){2|H<1>,5|C<3>}	C[6](C[5]C[5]S[5])(C[6]C[6]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6]S[5])(C[6]C[6]2)(S[5]C[5]){2|H<1>,5|C<3>}	127.6838	0.725	12	127.6838	0.526	12	127.6838	0.526	12	127.8750	0.957	13	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5]-3:C[6]-3:O[5]-2:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[6]C[6]2)(O[5]C[5])	C[6](C[5]C[5]O[5])(C[6]C[6]H)2	C[5](C[5]C[6]O[5])(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)(C[6]C[6]2)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5]C[5]O[5])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>}	134.5170	0.000	1	134.5170	0.000	1	134.5170	0.000	1	132.8860	5.320	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[5]-3:N[5]-2:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6]C[6]N[6])(C[5]C[5]C)(N[5]C[5])	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3)	C[5](C[6]C[6]N[6])(C[5]C[5]C)(N[5]C[5]){1|Fe<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[6]N[5])(C[5]C[5]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	131.2550	0.000	1	131.2550	0.000	1	131.2550	0.000	1	132.8860	5.320	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:2:	3:3:4:	3:3:1:	C[5]-3:C[6]-3:N[5]-2:	C[6]-3:C[5]-3:C[6]-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5])	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH)	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]H)(H){1|C<4>,2|C<3>}	126.4000	0.000	1	126.4000	0.000	1	126.4000	0.000	1	126.4000	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	2:3:3:	3:2:1:	C[6]-3:C[5]-3:C[5]-3:	O[6]-2:C[5]-3:C[6]-3:	C[5]-3:C[5]-2:H-1:	C[5](C[6]C[6]O[6])(C[5]C[5]H)(C[5]O[5]H)	C[6](O[6]C[5,6,6])(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]C[6])(C[5]O[5])(H)	C[5](C[6]C[6]O[6])(C[5]C[5]H)(C[5]O[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6](O[6]C[5,6,6])(C[5]C[5]2)(C[6]C[6]H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]O[5])(H){1|C<3>,1|H<1>,1|O<2>}	128.1540	0.000	1	128.1540	0.000	1	128.1540	0.000	1	126.9800	2.757	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	2:3:3:	3:2:1:	C[6]-3:C[5]-3:C[5]-3:	O[6]-2:C[5]-3:C[6]-3:	C[5]-3:O[5]-2:H-1:	C[5](C[6]C[6]O[6])(C[5]C[5]H)(C[5]O[5]H)	C[6](O[6]C[5,6,6])(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]C[6])(O[5]C[5])(H)	C[5](C[6]C[6]O[6])(C[5]C[5]H)(C[5]O[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6](O[6]C[5,6,6])(C[5]C[5]2)(C[6]C[6]H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]C[6])(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>}	125.8060	0.000	1	125.8060	0.000	1	125.8060	0.000	1	126.9800	2.757	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	2:3:3:	3:2:4:	C[6]-3:C[5]-3:C[5]-3:	O[6]-2:C[5]-3:C[6]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[6]C[6]O[6])(C[5]N[5]C)(C[5]N[5]O)	C[6](O[6]C[6,6a])(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[5](C[6]C[6]O[6])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[5]C[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>}	129.5550	0.000	1	129.5550	0.000	1	129.5550	0.000	1	129.5550	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	2:3:3:	3:3:1:	C[6]-3:C[5]-3:C[5]-3:	O[6]-2:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[6]C[6]O[6])(C[5]N[5]C)(C[5]N[5]O)	C[6](O[6]C[6,6a])(C[5]C[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C[6])(O)	C[5](C[6]C[6]O[6])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,3|C<3>}	C[6](O[6]C[6,6a])(C[5]C[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C[6])(O){1|C<4>,1|O<2>,3|C<3>}	124.9790	0.000	1	124.9790	0.000	1	124.9790	0.000	1	124.9790	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:2:2:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6]-2:C[6]-2:	C[5]-3:N[5]-3:C[6]-3:	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]C[5]S)	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[5](C[5]C[6]N[5])(N[5]C[5]Pd)(C[6]C[6]2)	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]C[5]S){1|Pd<4>,1|C<4>,4|C<2>}	C[6](C[5]C[5]N[5])(C[6]C[6])2{1|C<2>,1|N<3>,1|S<4>,2|C<3>}	C[5](C[5]C[6]N[5])(N[5]C[5]Pd)(C[6]C[6]2){1|C<4>,1|S<4>,4|C<2>}	114.7130	0.079	2	114.7130	0.006	2	114.7130	0.006	2	113.6577	3.579	4	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:2:2:	3:3:3:	C[5]-3:N[5]-3:C[6]-3:	C[5]-3:C[6]-2:C[6]-2:	C[5]-3:C[6]-3:N[5]-3:	C[5](C[5]C[6]N[5])(N[5]C[5]Pd)(C[6]C[6]2)	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]C[5]S)	C[5](C[5]C[6]N[5])(N[5]C[5]Pd)(C[6]C[6]2){1|C<4>,1|S<4>,4|C<2>}	C[6](C[5]C[5]N[5])(C[6]C[6])2{1|Pd<4>,1|C<2>,1|N<3>,2|C<3>}	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]C[5]S){1|Pd<4>,1|C<4>,4|C<2>}	112.6025	2.505	2	112.6025	6.276	2	112.6025	6.276	2	113.6577	3.579	4	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5]-3:N[6]-3:N[6]-2:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]N[6]2)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6])	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]N[6]2){2|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O){1|N<2>,1|N<3>,2|C<3>}	122.6420	0.000	1	122.6420	0.000	1	122.6420	0.000	1	125.0616	8.842	5	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:C[6]-3:O[6]-2:	C[5]-3:O[5]-2:O-1:	C[5](C[6]C[6]O[6])(C[5]C[5,6]O)(C[5]O[5]O)	C[6](C[5]C[5]2)(C[6]C[6]H)(O[6]C[6])	C[5](C[5]C[5]C[6])(O[5]C[5,6])(O)	C[5](C[6]C[6]O[6])(C[5]C[5,6]O)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5]C[5]2)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[5](C[5]C[5]C[6])(O[5]C[5,6])(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	124.1490	0.455	3	124.1490	0.207	3	124.1490	0.207	3	125.0616	8.842	5	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:C[6]-3:N[6]-2:	C[5]-3:C[5]-2:H-1:	C[5](C[6]C[6]N[6])(C[5]C[5]H)(N[5]C[5]H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]N[6])	C[5](C[5]C[6]N[5])(C[5]C[5])(H)	C[5](C[6]C[6]N[6])(C[5]C[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]N[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5])(H){1|C<3>,1|N<2>,2|H<1>}	130.2190	0.000	1	130.2190	0.000	1	130.2190	0.000	1	125.0616	8.842	5	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[5]-3:O[6]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O[6])(C[5]C[6a]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(O[6]C[6])	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O[6])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(O[6]C[6]){1|H<1>,8|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	128.1490	0.000	1	128.1490	0.000	1	128.1490	0.000	1	128.1490	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:C[6]-3:O[6]-2:	C[5,6]-4:C[5]-3:O-1:	C[5](C[6]C[6]O[6])(C[5]C[5,6]O)(C[5]O[5]O)	C[6](C[5]C[5]2)(C[6]C[6]H)(O[6]C[6])	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6])(O)	C[5](C[6]C[6]O[6])(C[5]C[5,6]O)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5]C[5]2)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	125.5700	0.195	3	125.5700	0.038	3	125.5700	0.038	3	125.5700	0.038	3	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5]-3:C[6]-3:N[6]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C)	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O){1|N<3>,3|C<3>}	125.9160	0.000	1	125.9160	0.000	1	125.9160	0.000	1	128.0031	5.264	12	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O)	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H)	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O){1|N<3>,3|C<3>}	121.6260	0.000	1	121.6260	0.000	1	121.6260	0.000	1	128.0031	5.264	12	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]N[5]H)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[5](C[5]C[5]C[6])(N[5]N[5])(H)	C[5](C[5]N[5]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5]C[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,1|C<3>,2|N<2>,3|H<1>}	C[5](C[5]C[5]C[6])(N[5]N[5])(H){1|H<1>,2|C<3>}	128.1413	0.533	4	128.1413	0.284	4	128.1413	0.284	4	128.0031	5.264	12	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]S[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(S[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]S[5]H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(S[5]C[5])(H){1|Cu<5>,1|C<3>,2|N<3>}	128.7690	0.506	2	128.7690	0.256	2	129.3217	0.305	6	128.0031	5.264	12	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]S[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(S[5]C[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]S[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(S[5]C[5])(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	129.5980	0.343	4	129.5980	0.117	4	129.3217	0.305	6	128.0031	5.264	12	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:2:2:	N[5]-3:C[6]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:O[5]-2:O-2:	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(O[5]N[5])(OCo)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O){1|Co<6>,1|H<1>,4|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[6]N[5])(O[5]N[5])(OCo){1|N<3>,2|C<3>}	126.4310	0.649	2	126.4310	0.421	2	126.5133	0.231	3	126.5133	0.231	3	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:2:2:	N[5]-3:C[6]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:O[5]-2:O-2:	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(O[5]N[5])(OZn)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O){1|Zn<4>,1|H<1>,4|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[6]N[5])(O[5]N[5])(OZn){1|N<3>,2|C<3>}	126.6780	0.000	1	126.6780	0.000	1	126.5133	0.231	3	126.5133	0.231	3	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:C[6]-3:N[6]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[6]C[6]N[6])(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N)	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3)	C[5](C[6]C[6]N[6])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5](C[5]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,2|C<3>}	126.7250	1.564	2	126.7250	2.446	2	126.7250	2.446	2	126.7250	2.446	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	125.6190	0.485	6	125.7219	0.240	9	125.7219	0.240	9	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	125.8240	0.000	1	125.7219	0.240	9	125.7219	0.240	9	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	125.9795	0.732	2	125.7219	0.240	9	125.7219	0.240	9	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]H)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5]H)2(C[6]C[6]2){1|C<2>,1|C<3>,4|H<1>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	126.7278	0.319	4	126.7278	0.102	4	126.7278	0.102	4	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[5](C[5]C[5]C[6])(N[5]N[5]Co)(H)	C[5](C[5]N[5]H)2(C[6]C[6]2){1|Co<6>,2|C<3>,3|H<1>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{3|N<3>,4|H<1>}	C[5](C[5]C[5]C[6])(N[5]N[5]Co)(H){2|C<3>,2|H<1>}	127.4493	1.015	3	127.4493	1.029	3	127.6335	0.940	6	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[5](C[5]C[5]C[6])(N[5]N[5]H)(H)	C[5](C[5]N[5]H)2(C[6]C[6]2){1|Co<6>,2|C<3>,3|H<1>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{3|N<3>,4|H<1>}	C[5](C[5]C[5]C[6])(N[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	127.8177	1.104	3	127.8177	1.220	3	127.6335	0.940	6	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6a]O)2(C[6]C[6,6a]2){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2){1|S<2>,2|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	126.3845	4.136	2	126.3845	17.105	2	126.3845	17.105	2	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[5]C[5]2)(C[6]N[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[5]C[5]2)(C[6]N[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<2>,4|C<3>}	125.7040	0.000	1	125.7040	0.000	1	125.7040	0.000	1	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5]C[6]N[5])(N[5]C[6]N[5])(H)	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,3|C<4>}	C[5](C[5]C[6]N[5])(N[5]C[6]N[5])(H){1|C<4>,4|C<3>}	128.4810	0.000	1	128.4810	0.000	1	128.4810	0.000	1	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5]-3:C[5]-3:	C[5]-3:C[6]-3:N[6]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[6]C[6]N[6])(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N)	C[5](N[5]C[6a]N[5])(C[5]C[5]C[6])(O)	C[5](C[6]C[6]N[6])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]C[6])(O){1|C<4>,1|N<3>,3|C<3>}	128.1840	1.365	2	128.1840	1.862	2	128.1840	1.862	2	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5]-3:C[5]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]C)	C[6](N[6]C[6]Pd)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]C[6])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]C){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pd)(C[5]C[5]2)(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5]C[6])(C[5]N[5]C)(H){1|N<3>,2|C<3>}	127.3000	0.000	1	127.3000	0.000	1	127.3000	0.000	1	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:C[6]-3:N[6]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[6]C[6]N[6])(C[5]C[5]Cl)(N[5]N[5]V)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]V)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(Cl)	C[5](C[6]C[6]N[6])(C[5]C[5]Cl)(N[5]N[5]V){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]V){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(Cl){1|C<3>,1|C<4>,1|N<3>,1|V<6>}	133.6290	0.000	1	133.6290	0.000	1	133.6290	0.000	1	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5]-3:N[5]-3:	C[5]-3:C[6]-3:N[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(C[5]C[5]H)(N[5]N[5]V)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]V)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]H)(N[5]N[5]V){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]V){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|C<3>,1|H<1>,1|N<3>,1|V<7>}	133.4780	0.000	1	133.4780	0.000	1	133.4780	0.000	1	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[6]-3:N[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(C[6]C[6,6a]H)(N[6]C[6]Pd)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6,6a]H)(N[6]C[6]Pd){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	135.6890	0.000	1	135.6890	0.000	1	135.6890	0.000	1	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:C[6]-3:N[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){2|C<3>,2|C<4>}	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ir<8>,1|C<3>,1|N<3>}	141.1440	0.000	1	141.1440	0.000	1	141.1440	0.000	1	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ag)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ag)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ag)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ag)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ag<5>,1|C<3>,1|H<1>,1|N<3>}	130.0710	0.629	2	130.0710	0.396	2	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ag)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ag)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ag)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ag)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ag<4>,1|C<3>,1|C<4>,1|N<3>}	129.5510	0.411	10	129.5510	0.169	10	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){2|Cd<6>,1|C<3>,1|N<3>}	130.2890	0.000	1	131.0731	0.867	8	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<3>}	131.2508	1.018	6	131.0731	0.867	8	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cd<5>,1|C<3>,1|H<1>,1|N<3>}	130.7910	0.000	1	131.0731	0.867	8	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]N[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cd<7>,1|C<3>,1|C<4>,1|N<3>}	130.1730	0.000	1	130.1730	0.000	1	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Co<6>,1|B<4>,1|C<3>,1|N<3>}	137.1680	0.590	2	136.8130	0.552	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Co<8>,1|C<3>,1|H<1>,1|N<3>}	136.1030	0.000	1	136.8130	0.552	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5](C[5]C[6]N[5])2(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])2(H){2|Co<6>,2|C<3>,2|N<3>}	135.8260	0.000	1	135.8260	0.000	1	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[3x6]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[3x6]N[5])(C[5]C[6]N[5])(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	130.8110	0.000	1	130.8110	0.000	1	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[5]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[6]N[5])(H){1|Cu<4>,1|Cu<5>,2|C<3>,2|N<3>}	137.2400	0.154	2	137.2400	0.024	2	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	130.4950	0.000	1	131.0927	0.715	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	130.7230	0.000	1	131.0927	0.715	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<5>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){2|Cu<5>,1|C<3>,1|N<3>}	132.0600	0.000	1	131.0927	0.715	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	132.3386	1.614	7	131.9340	3.497	23	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){2|Cu<4>,1|C<3>,1|N<3>}	132.5480	0.170	3	131.9340	3.497	23	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<5>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){2|Cu<5>,1|C<3>,1|N<3>}	134.4740	0.939	4	131.9340	3.497	23	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|N<3>,2|C<3>}	129.8953	0.642	6	131.9340	3.497	23	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|N<3>,2|C<3>}	131.0667	0.797	3	131.9340	3.497	23	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]N[5])2(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])2(H){2|Cu<5>,2|C<3>,2|N<3>}	135.2823	0.562	12	135.2823	0.315	12	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	130.0190	0.000	1	130.0190	0.000	1	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]N[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	133.0030	0.519	2	132.7630	0.307	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]N[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Cu<6>,1|C<3>,1|C<4>,1|N<3>}	132.2830	0.000	1	132.7630	0.307	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Eu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Eu)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Eu)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Eu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Eu<13>,1|C<3>,1|H<1>,1|N<3>}	131.1207	0.460	4	131.1207	0.212	4	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	134.7281	2.027	10	132.7228	3.992	30	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>}	132.4558	0.572	9	132.7228	3.992	30	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>}	131.1182	0.837	11	132.7228	3.992	30	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|B<4>,1|C<3>,1|N<3>}	133.5770	0.157	2	133.3291	2.416	115	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	135.7550	0.081	2	133.3291	2.416	115	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>}	131.6255	1.923	2	133.3291	2.416	115	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|Fe<6>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){2|Fe<6>,1|C<3>,1|N<3>}	133.4530	0.000	1	133.3291	2.416	115	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	134.5280	0.000	1	133.3291	2.416	115	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	133.3025	1.537	100	133.3291	2.416	115	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	133.2431	1.755	7	133.3291	2.416	115	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]N)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]N)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>}	133.1810	0.030	2	133.1810	0.001	2	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])2(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])2(H){2|Fe<6>,2|C<3>,2|N<3>}	134.1586	1.195	10	134.1586	1.428	10	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	134.8110	0.000	1	134.8110	0.000	1	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	132.8813	1.395	3	132.6555	3.270	6	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	133.8525	0.073	2	132.6555	3.270	6	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){1|Pd<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ir<6>,1|Pd<5>,1|C<3>,1|N<3>}	129.5840	0.000	1	132.6555	3.270	6	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>}	132.1572	1.022	5	132.5475	1.280	11	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>}	133.5058	0.897	4	132.5475	1.280	11	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|N<3>,2|C<3>}	131.6065	0.043	2	132.5475	1.280	11	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[5]C[6]N[5])2(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])2(H){2|Ir<8>,2|C<3>,2|N<3>}	130.6800	0.344	2	130.6800	0.118	2	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	133.0737	0.501	3	133.0737	0.251	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Li)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Li)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Li)(C[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Li)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Li<4>,1|Mn<6>,1|C<3>,1|N<3>}	130.3390	0.000	1	130.3390	0.000	1	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Mn<5>,1|C<3>,1|C<4>,1|N<3>}	133.4870	0.000	1	132.0211	0.752	9	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>}	131.8379	0.717	8	132.0211	0.752	9	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]N)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(C[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]N)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>}	130.9860	0.000	1	130.9860	0.000	1	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Mo)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mo)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Mo<6>,1|C<3>,1|C<4>,1|N<3>}	132.2175	0.175	2	132.8527	0.482	6	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Mo)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mo)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Mo<6>,1|C<3>,1|H<1>,1|N<3>}	132.9610	0.567	3	132.8527	0.482	6	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Mo)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mo)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Mo<7>,1|C<3>,1|H<1>,1|N<3>}	133.7980	0.000	1	132.8527	0.482	6	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Nd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Nd)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Nd)(C[5]C[5]H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Nd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Nd<12>,1|B<4>,1|C<3>,1|N<3>}	129.0410	0.268	3	129.0410	0.072	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[5](C[5]C[5]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[6]N[5])(H){1|Ni<4>,1|Ni<6>,2|C<3>,2|N<3>}	134.7440	0.366	2	134.7440	0.134	2	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>}	132.4937	0.323	3	132.4937	0.104	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H){1|Ni<5>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){2|Ni<5>,1|N<3>,3|C<3>}	133.6790	0.000	1	133.2907	0.115	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ni<4>,1|H<1>,1|N<3>,3|C<3>}	133.1380	0.000	1	133.2907	0.115	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ni<5>,1|H<1>,1|N<3>,3|C<3>}	133.0550	0.000	1	133.2907	0.115	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	132.6620	0.153	2	133.4107	1.693	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	134.9080	0.000	1	133.4107	1.693	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	134.8890	0.000	1	134.8890	0.000	1	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>}	134.4698	0.778	8	134.3231	1.935	20	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H){1|Pt<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){2|Pt<4>,1|C<3>,1|N<3>}	132.8107	1.048	3	134.3231	1.935	20	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	138.2320	0.000	1	134.3231	1.935	20	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	134.2550	1.068	8	134.3231	1.935	20	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	135.4230	0.000	1	135.4230	0.000	1	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[5](C[5]C[5a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[6]N[5])(H){1|Re<6>,1|C<4>,1|N<3>,1|S<2>,2|C<3>}	133.3300	0.000	1	133.3300	0.000	1	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|N<3>}	133.2180	0.538	3	132.7720	0.988	4	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Re<6>,1|N<3>,2|C<3>}	131.4340	0.000	1	132.7720	0.988	4	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Rh)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	134.3670	0.000	1	133.9157	3.053	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Rh)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Rh)(C[5]C[5]H){1|Rh<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){2|Rh<4>,1|C<3>,1|N<3>}	131.9870	0.000	1	133.9157	3.053	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Rh)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Rh)(C[5]C[5]H){1|Rh<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Rh<4>,1|Rh<5>,1|C<3>,1|N<3>}	135.3930	0.000	1	133.9157	3.053	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ru<9>,1|C<3>,1|H<1>,1|N<3>}	135.9680	0.000	1	134.0657	3.280	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	133.1145	1.064	2	134.0657	3.280	3	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>}	132.8650	0.479	7	133.3978	0.742	11	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<3>}	134.1440	0.417	2	133.3978	0.742	11	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<3>}	134.5165	0.518	2	133.3978	0.742	11	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[6]N[5])2(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])2(H){2|Ru<6>,2|C<3>,2|N<3>}	132.7895	0.419	2	132.7895	0.176	2	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<9>,1|C<4>,1|N<3>,3|C<3>}	136.3495	0.228	2	134.3727	3.213	6	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<6>,1|C<4>,1|N<3>,3|C<3>}	132.6620	1.024	2	134.3727	3.213	6	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	133.3470	0.000	1	134.3727	3.213	6	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<8>,1|H<1>,1|N<3>,3|C<3>}	134.8660	0.000	1	134.3727	3.213	6	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Sm)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Sm)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Sm)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Sm)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Sm<13>,1|C<3>,1|H<1>,1|N<3>}	130.3000	0.147	2	130.3000	0.022	2	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Sm)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Sm)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Sm)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Sm)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Sm<13>,1|H<1>,1|N<3>,3|C<3>}	131.5870	0.098	2	131.5870	0.010	2	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|N<3>,2|C<3>}	130.5410	0.000	1	131.8704	0.425	18	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>}	132.1951	0.254	12	131.8704	0.425	18	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]C)(H){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>}	131.3572	0.734	5	131.8704	0.425	18	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>}	132.0720	0.597	3	132.1418	1.319	8	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Zn<5>,1|C<3>,1|C<4>,1|N<3>}	134.0560	0.000	1	132.1418	1.319	8	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<3>}	131.9523	1.312	3	132.1418	1.319	8	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[5]N[5]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<3>}	131.0050	0.000	1	132.1418	1.319	8	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Zn<4>,1|C<4>,1|N<3>,3|C<3>}	132.4757	0.305	6	132.4757	0.093	6	132.9124	3.361	373	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(N[5]C[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(N[5]C[5]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	133.8280	0.000	1	133.8280	0.000	1	135.8491	2.074	41	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	135.4855	1.121	4	135.4855	1.256	4	135.8491	2.074	41	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(N[5]C[5]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6]N[5])(N[5]C[5]N[5])(H){1|Fe<10>,1|Fe<6>,1|C<3>,1|N<3>,2|C<4>}	132.0610	0.000	1	132.0610	0.000	1	135.8491	2.074	41	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,3|N<3>}	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|N<3>}	134.8920	0.132	2	137.0392	1.700	10	135.8491	2.074	41	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|N<3>}	137.4336	0.899	5	137.0392	1.700	10	135.8491	2.074	41	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Fe<6>,1|C<3>,1|N<3>}	137.8133	0.358	3	137.0392	1.700	10	135.8491	2.074	41	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	134.7217	0.683	6	134.7217	0.467	6	135.8491	2.074	41	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Pd<4>,1|C<3>,1|N<3>}	136.4347	0.977	3	136.4347	0.954	3	135.8491	2.074	41	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Pt<4>,1|C<3>,1|N<3>}	136.8073	1.550	4	136.0599	2.119	7	135.8491	2.074	41	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Pt<4>,1|C<3>,1|N<3>}	135.0633	0.381	3	136.0599	2.119	7	135.8491	2.074	41	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Re<6>,1|C<3>,1|N<3>}	135.5803	0.433	3	135.5803	0.187	3	135.8491	2.074	41	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6]N[5])(N[5]N[5]C)(H){1|Ru<6>,1|C<3>,1|N<3>}	135.7993	0.922	6	135.7993	0.849	6	135.8491	2.074	41	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]C[5,6]Ru)(C[5]N[5,6]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]C[5,6]Ru)(C[5]N[5,6]H){1|H<1>,4|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	132.5970	0.000	1	132.5970	0.000	1	132.5970	0.000	1	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Co<6>,1|N<2>,1|N<3>,2|C<3>}	133.9340	0.000	1	133.9340	0.000	1	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	133.4040	0.057	2	133.3013	2.158	6	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Cu<4>,1|N<3>,3|C<3>}	134.1850	0.000	1	133.3013	2.158	6	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Cu<6>,1|N<3>,3|C<3>}	132.9383	2.189	3	133.3013	2.158	6	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ir<6>,1|N<3>,3|C<3>}	134.6030	0.000	1	135.7205	2.498	2	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ir<8>,1|N<3>,3|C<3>}	136.8380	0.000	1	135.7205	2.498	2	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pd<4>,1|N<3>,3|C<3>}	135.6970	0.751	2	136.2033	1.051	3	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pd<4>,1|N<3>,3|C<3>}	137.2160	0.000	1	136.2033	1.051	3	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](N[5]C[3x6]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[3x6]N[5])(C[5]C[6]N[5])(H){1|Pt<4>,1|C<3>,1|N<3>,3|C<4>}	137.0542	1.416	4	137.0542	2.006	4	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	136.8740	0.000	1	136.9358	2.094	5	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pt<4>,1|N<3>,3|C<3>}	135.6840	0.000	1	136.9358	2.094	5	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pt<4>,1|N<3>,3|C<3>}	138.2840	1.121	2	136.9358	2.094	5	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pt<6>,1|N<3>,3|C<3>}	135.5530	0.000	1	136.9358	2.094	5	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Re<6>,1|N<3>,3|C<3>}	134.9823	0.644	3	134.9823	0.415	3	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<6>,1|N<3>,3|C<3>}	135.7940	0.000	1	135.8255	0.002	2	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<9>,1|N<3>,3|C<3>}	135.8570	0.000	1	135.8255	0.002	2	135.5110	3.385	26	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:S[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(S[5]C[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)	C[5](C[6]C[6]N[6])(S[5]C[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	130.0470	0.000	1	129.6693	0.380	3	129.4000	0.347	5	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:S[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(S[5]C[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)	C[5](C[6]C[6]N[6])(S[5]C[5]Cu)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	128.9580	0.000	1	129.6693	0.380	3	129.4000	0.347	5	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:S[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(S[5]C[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)	C[5](C[6]C[6]N[6])(S[5]C[5]Cu)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	130.0030	0.000	1	129.6693	0.380	3	129.4000	0.347	5	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:S[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(S[5]C[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]S[5])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)	C[5](C[6]C[6]N[6])(S[5]C[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]S[5])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H){1|Ru<5>,1|C<3>,1|H<1>,1|N<3>}	129.1990	0.000	1	129.1990	0.000	1	129.4000	0.347	5	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:S[5]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6]C[6]N[6])(S[5]C[5]Yb)(C[5]C[5]H)	C[6](C[5]C[5]S[5])(N[6]C[6]Yb)(C[6]C[6]H)	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H)	C[5](C[6]C[6]N[6])(S[5]C[5]Yb)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6](C[5]C[5]S[5])(N[6]C[6]Yb)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5](C[5]C[6]S[5])(C[5]C[5]H)(H){1|Yb<12>,1|C<3>,1|H<1>,1|N<3>}	128.7930	0.000	1	128.7930	0.000	1	129.4000	0.347	5	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:1:	S[5]-3:C[5]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](S[5]C[5,6a]Cu)(C[5]C[5,6a]H)(C[6]C[6]N[6])	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]S[5])(H)	C[5](S[5]C[5,6a]Cu)(C[5]C[5,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]S[5])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	129.3950	0.000	1	129.3950	0.000	1	129.3950	0.000	1	132.9501	6.602	477	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6]-3:	C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[5]C[5]2)(C[6]N[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(OH)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[5]C[5]2)(C[6]N[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(OH){1|H<1>,1|O<1>,4|C<3>}	126.6930	0.000	1	126.6930	0.000	1	126.6930	0.000	1	127.3680	13.566	3	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:N[6]-3:	C[5]-3:N[5]-3:N-2:	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NH)	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H){2|C<4>,4|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NH){2|H<1>,2|N<3>}	131.3420	0.000	1	131.3420	0.000	1	131.3420	0.000	1	127.3680	13.566	3	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[5]-3:C[5]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C-3:N[5]-2:	C[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]C)	C[6](N[6]C[6]Pd)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]C[6])(CC[5a]Pd)(N[5]C[5])	C[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]C){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pd)(C[5]C[5]2)(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5]C[6])(CC[5a]Pd)(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1	127.3680	13.566	3	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6]C[6,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6]C[6,6a]2){1|H<1>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<3>,2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6]C[6,6a]2){1|H<1>,9|C<3>}	126.5757	1.916	4	126.5757	3.669	4	126.5757	3.669	4	130.1727	25.037	19	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C[6]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]N[6])	C[6](N[6]C[6]Co)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]N[6])	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]N[6]){1|Co<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](N[6]C[6]Co)(C[5]C[5]2)(C[6]C[6]H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]N[6]){1|Co<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	126.6595	0.501	2	126.6595	0.251	2	126.6595	0.251	2	130.1727	25.037	19	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]N[6])	C[6](N[6]C[6]Co)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]N[6]){1|Co<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](N[6]C[6]Co)(C[5]C[5]2)(C[6]C[6]H){2|H<1>,5|C<3>}	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	123.4530	0.638	2	123.4530	0.407	2	123.4530	0.407	2	130.1727	25.037	19	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[6]-3:N[5]-3:	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]C)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]Cd)	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]C){2|Cd<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]Cd){1|H<1>,1|N<3>,5|C<3>}	126.8940	0.000	1	126.8940	0.000	1	135.0665	37.711	4	130.1727	25.037	19	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[6]-3:N[5]-3:	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]Cd)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]C)	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]Cd){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]C){2|Cd<5>,1|H<1>,1|N<3>,4|C<3>}	133.8450	0.000	1	133.8450	0.000	1	135.0665	37.711	4	130.1727	25.037	19	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[6]-3:N[5]-3:	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]O[5]Ru)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]O[5]Ru)	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]O[5]Ru){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]O[5]Ru){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	139.7635	0.853	2	139.7635	0.728	2	135.0665	37.711	4	130.1727	25.037	19	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Ir)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Ir){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	134.0920	0.000	1	134.0920	0.000	1	134.9875	1.604	2	130.1727	25.037	19	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Os)	C[6](C[5]C[5]N[5])(N[6]C[6]Os)(C[6]C[6]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Os){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Os)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H){1|Os<6>,1|H<1>,1|N<3>,4|C<3>}	135.8830	0.000	1	135.8830	0.000	1	134.9875	1.604	2	130.1727	25.037	19	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6]-3:N[5]-3:	C[5]-3:N[6]-3:N[6]-3:	C[5]-3:N[5]-3:N-3:	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NHH)	C[5](C[5]N[5]N)(C[6]N[6]2)(N[5]C[5]H){2|C<4>,4|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6]N[5])(N[5]C[5]H)(NHH){2|H<1>,2|N<3>}	130.3723	0.726	3	130.3723	0.528	3	130.3723	0.528	3	130.1727	25.037	19	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2)	C[6](C[5]N[5,6a]C[5])(C[6]C[6]O)2	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2){1|N<2>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[5]N[5,6a]C[5])(C[6]C[6]O)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	133.5440	0.000	1	133.5440	0.000	1	132.6975	1.433	2	130.1727	25.037	19	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2)	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	131.8510	0.000	1	131.8510	0.000	1	132.6975	1.433	2	130.1727	25.037	19	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:N[5]-3:C-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[6]C[6]2)	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(CH3)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[6]C[6]2){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2{1|N<3>,3|C<3>,3|C<4>}	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(CH3){4|C<3>}	132.1220	0.000	1	132.1220	0.000	1	132.1220	0.000	1	132.1220	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CRu2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C){1|Ru<6>,4|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CRu2C){1|N<3>,3|C<3>}	128.6170	0.000	1	128.6170	0.000	1	128.6170	0.000	1	128.6170	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[6]-3:C[5]-3:C[5]-3:	C[5a,6]-3:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6]C[5a,6]C[6])(C[5]C[5]C)(C[5]O[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(O[5]C[5])(O)	C[5](C[6]C[5a,6]C[6])(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5]C[6])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	122.9155	5.534	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:4:3:	3:2:1:	C[6]-3:C[5]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6]C[6,6a]C[6])(C[5]C[5]C)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(O[5]C[5])(O)	C[5](C[6]C[6,6a]C[6])(C[5]C[5]C)(C[5]O[5]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5]C[6])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	124.5790	0.000	1	124.5790	0.000	1	124.5790	0.000	1	122.9155	5.534	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:4:3:	3:3:3:	C[6]-3:C[5]-3:C[5]-3:	C[5a,6]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6]C[5a,6]C[6])(C[5]C[5]C)(C[5]O[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CCC)	C[5](C[6]C[5a,6]C[6])(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CCC){1|C<3>,1|C<4>,1|O<1>}	132.4820	0.000	1	132.4820	0.000	1	132.4820	0.000	1	132.4820	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:4:3:	3:4:3:	C[6]-3:C[5]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6]C[6,6a]C[6])(C[5]C[5]C)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]H)	C[5](C[6]C[6,6a]C[6])(C[5]C[5]C)(C[5]O[5]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	128.9550	0.000	1	128.9550	0.000	1	128.9550	0.000	1	128.9550	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-4:C[6]-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH)	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	125.6735	0.697	2	125.6735	0.485	2	124.6935	0.727	6	124.6935	0.727	6	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5]-3:C[6]-4:C[6]-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	124.2035	0.300	4	124.2035	0.090	4	124.6935	0.727	6	124.6935	0.727	6	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	4:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[6]-4:C[5]-3:C[6]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C[6])(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C[6])(O){1|C<4>,1|O<1>,4|C<3>}	121.3410	0.000	1	121.3410	0.000	1	121.3410	0.000	1	121.3410	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	4:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6]-3:	C[6]-4:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	130.0980	0.000	1	130.0980	0.000	1	130.0980	0.000	1	130.0980	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	4:3:3:	3:4:1:	C[5]-3:C[5]-3:C[6]-3:	C[6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(C[6]C[6]2){4|C<4>,5|H<1>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	124.2430	0.000	1	124.2430	0.000	1	124.2430	0.000	1	124.2430	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	4:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6]-3:	C[6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(C[6]C[6]2){4|C<4>,5|H<1>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	126.6930	0.000	1	126.6930	0.000	1	126.6930	0.000	1	126.6930	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	4:3:4:	3:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O)	C[6](C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]C[5])(C[6]C[6]HH)	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>}	123.7620	0.000	1	123.7620	0.000	1	123.7620	0.000	1	123.7620	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	4:4:3:	3:2:1:	C[5]-3:C[5]-3:C[6]-3:	C[6]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[5](C[5]C[5]C[6])(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(C[6]C[6]2){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]C[6])(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>}	123.8680	0.000	1	123.8680	0.000	1	123.8680	0.000	1	123.8680	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	4:4:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-3:	C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[5]C[5]2){2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	126.6525	1.016	2	126.6525	1.032	2	126.6525	1.032	2	126.6525	1.032	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:	4:4:3:	3:3:3:	C[5]-3:C[5]-3:C[6]-3:	C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[5a]C)	C[5](C[5]C[5]C)(C[5]O[5]O)(C[6]C[6]2){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[5a]C){1|O<1>,2|C<4>}	129.4610	0.000	1	129.4610	0.000	1	129.4610	0.000	1	129.4610	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:4:3:	2:4:3:	3:4:3:	C[6]-3:C[5]-4:C[5]-3:	S[6]-2:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]C)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]H)	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,6|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]H){1|C<4>,1|S<2>,4|H<1>}	129.3870	0.000	1	129.3870	0.000	1	129.3870	0.000	1	129.1715	0.093	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:4:3:	2:4:3:	3:4:3:	C[6]-3:C[5]-4:C[5]-3:	S[6]-2:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]2)	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]2)	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]2){1|C<3>,1|S<2>,3|C<4>,6|H<1>}	128.9560	0.000	1	128.9560	0.000	1	128.9560	0.000	1	129.1715	0.093	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:4:3:	3:3:3:	3:2:4:	C[6]-3:C[5]-4:C[5]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:O[5]-2:C-4:	C[5](C[6]C[6]N[6])(C[5]C[5]RuH)(C[5]O[5]C)	C[6](N[6]C[6,6]Ru)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)	C[5](C[6]C[6]N[6])(C[5]C[5]RuH)(C[5]O[5]C){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6]Ru)(C[5]C[5]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.2830	0.000	1	127.2830	0.000	1	127.2830	0.000	1	127.2830	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[6]-3:C[5]-4:C[5]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6]C[6]N[6])(C[5]C[5]IrC)(C[5]C[5]C)	C[6](N[6]C[6]Ir)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3)	C[5](C[6]C[6]N[6])(C[5]C[5]IrC)(C[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6]Ir)(C[5]C[5]2)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3){1|Ir<6>,1|C<3>,1|N<3>,2|C<4>}	131.6070	0.000	1	131.5157	0.409	3	131.5157	0.409	3	131.5157	0.409	3	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[6]-3:C[5]-4:C[5]-3:	N[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6]C[6]N[6])(C[5]C[5]IrC)(C[5]C[5]C)	C[6](N[6]C[6]Ir)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3)	C[5](C[6]C[6]N[6])(C[5]C[5]IrC)(C[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6]Ir)(C[5]C[5]2)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C[6])(C[5]C[5]C)(CH3){1|Ir<7>,1|C<3>,1|N<3>,2|C<4>}	131.4700	0.898	2	131.5157	0.409	3	131.5157	0.409	3	131.5157	0.409	3	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:4:3:	3:4:3:	3:3:3:	C[6]-3:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CCH)	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|O<2>,5|C<3>,5|H<1>}	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CCH){1|C<3>,1|C<4>,2|H<1>}	128.1020	0.000	1	128.1020	0.000	1	129.2110	2.460	2	129.2110	2.460	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:4:3:	3:4:3:	3:3:3:	C[6]-3:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[6a]H)	C[5](C[6]C[6,6a]C[6])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|O<2>,5|C<3>,5|H<1>}	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	130.3200	0.000	1	130.3200	0.000	1	129.2110	2.460	2	129.2110	2.460	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:4:3:	4:3:2:	3:4:1:	C[6]-3:C[5]-4:C[5]-3:	C[6]-4:C[5]-3:S[6]-2:	C[5]-3:C[5]-4:O-1:	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6])	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O)	C[5](C[6]C[6]S[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	C[6](C[6]C[6a]S[6]H)(C[5]C[5]2)(S[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<4>,1|S<2>,4|H<1>}	126.0810	0.000	1	126.0810	0.000	1	126.0810	0.000	1	126.0810	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	3:4:3:	4:3:3:	3:3:1:	C[6]-3:C[5]-4:C[5]-3:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]H)(C[5]C[5]2){1|C<4>,7|C<3>,8|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	129.8810	0.000	2	129.8810	0.000	2	129.8810	0.000	2	129.8810	0.000	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6]-3:	N[6]-3:N[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]N[6]2)	C[6](N[6]C[6,6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]N[6]2){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){2|C<3>,2|H<1>,3|N<3>}	122.4520	0.000	1	122.4520	0.000	1	122.4520	0.000	1	122.4520	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6]-3:	C[6]-3:C[5]-3:C[6]-3:	C[5,5]-3:C[5]-3:C-3:	C[5](C[5]N[5,5]C[6a]O)(C[5]C[5,5]C)(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[5]C[5]2)(C[6]O[6]O)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]C[6])(CC[6a]O)	C[5](C[5]N[5,5]C[6a]O)(C[5]C[5,5]C)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[5]C[5]2)(C[6]O[6]O){1|N<3>,1|O<2>,5|C<3>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]C[6])(CC[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	128.8660	0.000	1	128.8660	0.000	1	128.8660	0.000	1	128.8660	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:	3:4:3:	3:4:1:	C[5]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,4|C<4>}	123.8620	0.000	1	123.8620	0.000	1	123.8620	0.000	1	123.8620	0.000	1	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:	3:4:3:	4:3:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[5]-3:H-1:	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2)	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C[6])(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2){1|Cl<1>,1|C<3>,2|H<1>,3|O<2>,5|C<4>}	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	126.5175	0.086	2	126.5175	0.007	2	126.5175	0.007	2	126.5175	0.007	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:	4:3:3:	3:4:1:	C[5]-4:C[5]-3:C[6]-3:	C[6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	126.9115	0.359	2	126.9115	0.129	2	126.9115	0.129	2	126.9115	0.129	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:	4:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:	C[6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[5](C[5]C[5,6]HH)(C[5]C[5]C[6])(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){3|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]C[6])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	125.9980	0.249	2	125.9980	0.062	2	125.9980	0.062	2	125.9980	0.062	2	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:	4:4:3:	3:3:1:	C[5]-4:C[5]-3:C[6]-3:	C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	126.6570	0.000	1	126.6570	0.000	1	126.6570	0.000	1	126.9760	0.260	3	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:	4:4:3:	3:3:1:	C[5]-4:C[5]-3:C[6]-3:	C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(C[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(C[5]C[5]2){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.7070	0.000	1	126.7070	0.000	1	127.1355	0.367	2	126.9760	0.260	3	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	0:SP2_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:	4:4:3:	3:3:1:	C[5]-4:C[5]-3:C[6]-3:	C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HN)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(C[5]C[5]2)	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(C[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]H)(H){2|C<4>,2|H<1>,2|N<3>}	127.5640	0.000	1	127.5640	0.000	1	127.1355	0.367	2	126.9760	0.260	3	131.7610	13.859	609	130.5982	19.285	1166
818	762	818	6:SP2_SP2_SP2	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:3:	3:3:3:	3:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[6,6,6a]2)	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[6,6,6a]2){2|C<4>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	122.9928	0.619	4	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:3:	3:3:4:	4:3:3:	C[5,5,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6]-4:C[5,6,6]-3:C[6,6,6a]-3:	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(C[3x6]C[5,6,6]C[3x6])	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl)	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(C[6,6,6a]C[6,6,6a]2)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(C[3x6]C[5,6,6]C[3x6]){4|Cl<1>,3|C<4>,5|C<3>}	C[3x6](C[5,6,6]C[5,5,6]C[5,6,6])2(C[3x6]C[6,6,6a]2Cl){3|Cl<1>,4|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(C[6,6,6a]C[6,6,6a]2){3|Cl<1>,3|C<4>,5|C<3>}	122.7490	0.000	1	122.7490	0.000	1	122.7490	0.000	1	122.7490	0.000	1	122.9928	0.619	4	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:3:	4:3:3:	3:4:3:	C[5,6,6]-4:C[3x6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	122.1500	0.000	1	122.1500	0.000	1	122.5940	0.394	2	122.5940	0.394	2	122.9928	0.619	4	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6,6]	C[3x6]	C[5,6,6]	4:3:3:	4:3:3:	3:4:3:	C[5,6,6]-4:C[3x6]-3:C[5,6,6]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	123.0380	0.000	1	123.0380	0.000	1	122.5940	0.394	2	122.5940	0.394	2	122.9928	0.619	4	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6,6]	C[6,6]	C[5,6]	4:3:3:	3:4:4:	3:4:3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2){11|H<1>,1|C<4>,1|N<3>}	C[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	121.9320	0.000	1	121.9320	0.000	1	121.9320	0.000	1	121.9320	0.000	1	121.9320	0.000	1	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6,6]	C[5,6]	3:3:2:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6]-3:N[5]-2:	C[5,6]-3:N[6]-3:N[6,6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6])(C[6,6]N[6,6]N[6])(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6]N[5])(N[6]C[6,6a]Pt)(N[6,6]C[6]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6])(C[6,6]N[6,6]N[6])(N[5]C[5,6a]){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6]N[5])(N[6]C[6,6a]Pt)(N[6,6]C[6]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){2|C<3>,2|N<3>,3|H<1>}	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	122.5948	0.380	5	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6,6]	C[5,6]	3:3:4:	4:3:3:	3:4:3:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	123.4630	0.000	1	123.4630	0.000	1	123.4630	0.000	1	123.4630	0.000	1	122.5948	0.380	5	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6,6]	C[5,6]	3:3:4:	4:3:4:	3:4:3:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[6,6]-4:C[5,6]-3:C[6]-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[6]N[6]HH)(C[5]C[5]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,6|H<1>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[5,6]C[5,6]C[5])(C[6]O[6]HH){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]N[6]HH)(C[5]C[5]H){1|O<1>,1|S<3>,2|C<4>,2|H<1>}	122.0110	0.195	2	122.0110	0.038	2	122.0110	0.038	2	122.0110	0.038	2	122.5948	0.380	5	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6,6]	C[5,6]	3:4:3:	3:4:4:	3:4:3:	C[6,6]-3:P[5]-4:C[5,6]-3:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(P[5]C[6a]2N[5])(C[5,6]B[5]C[6])	C[6,6](C[5,6]C[5,6]P[5])(C[6,6]C[6]2H)(C[6]C[6]HH)	C[5,6](C[5,6]C[6,6]P[5])(B[5]C[6a]2N[5])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(P[5]C[6a]2N[5])(C[5,6]B[5]C[6]){1|O<2>,3|C<4>,4|H<1>,6|C<3>}	C[6,6](C[5,6]C[5,6]P[5])(C[6,6]C[6]2H)(C[6]C[6]HH){1|B<4>,1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6]P[5])(B[5]C[6a]2N[5])(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	122.5948	0.380	5	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6,6]	3:3:2:	3:3:1:	4:4:3:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6,6]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6,6]C[6,6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,3|O<2>,4|H<1>}	124.1370	0.000	1	123.7855	0.247	2	123.7855	0.247	2	124.5620	1.932	3	120.5753	7.907	11	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6,6]	3:3:2:	3:3:1:	4:4:3:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6,6]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6,6]C[6,6]C[6])(O)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5]){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	123.4340	0.000	1	123.7855	0.247	2	123.7855	0.247	2	124.5620	1.932	3	120.5753	7.907	11	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6,6]	3:3:2:	3:3:1:	4:4:3:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]O[5])(O)	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(O[5]C[5]){1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	126.1150	0.000	1	126.1150	0.000	1	126.1150	0.000	1	124.5620	1.932	3	120.5753	7.907	11	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6,6]-3:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[6]C[6a]C[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6])(C[5,6]N[5]N[6])	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[6]C[6a]C[6])(C[5]N[5]O){1|C<2>,1|N<2>,5|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6])(C[5,6]N[5]N[6]){1|N<2>,1|O<1>,5|C<3>}	119.3213	0.083	3	119.3213	0.007	3	119.3213	0.007	3	119.3213	0.007	3	120.5753	7.907	11	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6,6]	3:3:3:	3:4:1:	4:4:3:	C[5,6,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5a]C[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(O)	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5a]C[5])(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(O){3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	120.5460	0.000	1	120.5460	0.000	1	120.5460	0.000	1	120.5460	0.000	1	120.5753	7.907	11	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6,6]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(H)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]Hf)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]H){1|Hf<12>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(H){1|Hf<12>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]Hf)(C[5,6]C[5]C[6]){2|C<4>,3|H<1>,4|C<3>}	117.0480	0.000	1	117.0480	0.000	1	117.0480	0.000	1	117.8870	0.549	3	120.5753	7.907	11	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6,6]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(O)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	118.3065	0.203	2	118.3065	0.041	2	118.3065	0.041	2	117.8870	0.549	3	120.5753	7.907	11	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6,6]	3:4:3:	3:4:1:	4:3:3:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2){11|H<1>,1|C<4>,1|N<3>}	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	120.5753	7.907	11	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:2:3:	3:2:4:	3:2:3:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:O[6]-2:C-4:	C[5,6]-3:S[5]-2:C[6]-3:	C[5,6](C[5,6]C[6]S[5])(O[5]Ga[3x5])(C[6]O[6]C)	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3)	C[5,6](C[5,6]C[6]O[5])(S[5]Ga[3x5])(C[6]C[6]H)	C[5,6](C[5,6]C[6]S[5])(O[5]Ga[3x5])(C[6]O[6]C){1|C<3>,1|H<1>,2|O<2>,2|S<2>}	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3){1|Ga<6>,1|C<3>,1|H<1>,1|S<2>}	C[5,6](C[5,6]C[6]O[5])(S[5]Ga[3x5])(C[6]C[6]H){1|C<4>,1|H<1>,2|S<2>,3|O<2>}	118.7923	0.596	3	118.7923	0.356	3	118.7772	0.191	5	118.7772	0.191	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:2:3:	3:2:4:	3:2:3:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:O[6]-2:C-4:	C[5,6]-3:S[5]-2:C[6]-3:	C[5,6](C[5,6]C[6]S[5])(O[5]Ga[5,5])(C[6]O[6]C)	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3)	C[5,6](C[5,6]C[6]O[5])(S[5]Ga[5,5])(C[6]C[6]H)	C[5,6](C[5,6]C[6]S[5])(O[5]Ga[5,5])(C[6]O[6]C){1|C<3>,1|H<1>,1|S<2>,2|O<2>}	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3){1|Ga<5>,1|C<3>,1|H<1>,1|S<2>}	C[5,6](C[5,6]C[6]O[5])(S[5]Ga[5,5])(C[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,3|O<2>}	118.7545	0.227	2	118.7545	0.052	2	118.7772	0.191	5	118.7772	0.191	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:2:3:	3:3:1:	3:2:3:	C[5,6]-3:S[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6](C[5,6]C[6]O[5])(S[5]Ga[3x5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]O[6]H)(H)	C[5,6](C[5,6]C[6]S[5])(O[5]Ga[3x5])(C[6]O[6]C)	C[5,6](C[5,6]C[6]O[5])(S[5]Ga[3x5])(C[6]C[6]H){1|C<4>,1|H<1>,2|S<2>,3|O<2>}	C[6](C[5,6]C[5,6]S[5])(C[6]O[6]H)(H){1|Ga<6>,1|C<3>,1|O<2>}	C[5,6](C[5,6]C[6]S[5])(O[5]Ga[3x5])(C[6]O[6]C){1|C<3>,1|H<1>,2|O<2>,2|S<2>}	116.7777	0.899	3	116.7777	0.809	3	116.9726	0.476	5	116.9726	0.476	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:2:3:	3:3:1:	3:2:3:	C[5,6]-3:S[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6](C[5,6]C[6]O[5])(S[5]Ga[5,5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]O[6]H)(H)	C[5,6](C[5,6]C[6]S[5])(O[5]Ga[5,5])(C[6]O[6]C)	C[5,6](C[5,6]C[6]O[5])(S[5]Ga[5,5])(C[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,3|O<2>}	C[6](C[5,6]C[5,6]S[5])(C[6]O[6]H)(H){1|Ga<5>,1|C<3>,1|O<2>}	C[5,6](C[5,6]C[6]S[5])(O[5]Ga[5,5])(C[6]O[6]C){1|C<3>,1|H<1>,1|S<2>,2|O<2>}	117.2650	0.013	2	117.2650	0.000	2	116.9726	0.476	5	116.9726	0.476	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:2:3:	3:3:1:	4:3:3:	C[5,6]-3:N[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5])(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|O<2>}	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	118.7020	0.000	1	118.7020	0.000	1	118.7020	0.000	1	120.6905	7.908	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:2:3:	3:3:1:	4:3:3:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(O)	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	122.6790	0.000	1	122.6790	0.000	1	122.6790	0.000	1	120.6905	7.908	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:2:3:	3:3:1:	4:3:4:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|O<2>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	126.2640	0.000	1	126.2640	0.000	1	126.2640	0.000	1	126.2640	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:2:3:	3:3:2:	4:3:3:	C[5,6]-3:N[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6])(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.2720	0.000	1	122.2720	0.000	1	122.2720	0.000	1	122.2720	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:2:3:	3:3:3:	4:3:3:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-3:C-3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(O[5]C[5,6])(C[6]C[6]C)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CCO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6])(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	123.9100	0.000	1	123.9100	0.000	1	123.9100	0.000	1	123.9100	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:2:3:	3:4:3:	3:4:3:	C[5,6]-3:Se[5]-2:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(Se[5]Se[5])(C[6]C[6]C)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(CHO)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]Se[5]H)	C[5,6](C[5,6]C[5]C[6])(Se[5]Se[5])(C[6]C[6]C){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(CHO){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]HH)(C[5]Se[5]H){1|C<4>,1|H<1>,2|C<3>}	122.8470	0.000	1	122.8470	0.000	1	122.8470	0.000	1	122.8470	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:2:3:	3:4:4:	3:3:3:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6]-3:C[6]-4:C-4:	N[5]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(O[5]In[5,5])(C[6]C[6]C)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3)	C[5,6](N[5]In[5,5]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5])(O[5]In[5,5])(C[6]C[6]C){1|C<4>,1|I<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(CC3){1|In<5>,1|C<3>,1|C<4>,1|N<3>}	C[5,6](N[5]In[5,5]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]H){1|I<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	119.6868	0.479	4	119.6868	0.230	4	119.6868	0.230	4	119.6868	0.230	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:2:1:	3:2:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:N[6]-2:O-1:	C[5,6]-3:N[5]-2:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]Se[5])	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]Se[5])(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]Se[5]){1|C<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O){1|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]Se[5])(N[6]C[6]){1|N<2>,1|N<3>,1|O<1>}	119.1250	0.000	1	119.1250	0.000	1	119.1250	0.000	1	119.1250	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:2:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-2:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]){1|C<2>,1|C<4>,2|H<1>}	121.6810	0.000	1	121.6810	0.000	1	121.6810	0.000	1	118.7680	9.029	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:2:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:N[6]-2:Cl-1:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(Cl)	C[5,6](C[5,6]C[6]N[5])(N[6]C[6]Rh)(N[5]C[5])	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]){1|Rh<5>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(Cl){1|C<3>,1|N<2>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[6]C[6]Rh)(N[5]C[5]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	115.6790	0.000	1	115.6790	0.000	1	115.6790	0.000	1	118.7680	9.029	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:2:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-2:F-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6])(F)	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Ir)(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(S[5]C[5]){1|Ir<6>,2|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6])(F){1|C<2>,1|C<3>,1|F<1>,1|N<3>}	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Ir)(C[6]C[6]){1|C<2>,1|C<3>,2|F<1>}	118.9440	0.000	1	118.9440	0.000	1	118.9440	0.000	1	118.7680	9.029	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:2:3:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:N[6]-2:N-3:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[5,6](C[5,6]C[6]N[5])(N[6]C[6]Ir)(N[5]C[5])	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]){1|Br<1>,1|Ir<6>,1|C<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[6]C[6]Ir)(N[5]C[5]){1|Br<1>,1|H<1>,1|N<2>,1|N<3>}	118.7570	0.000	1	118.7570	0.000	1	118.7570	0.000	1	118.7570	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:2:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-2:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6])(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(S[5]C[5]){1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6])(S[5]C[5]){1|H<1>,1|O<2>,2|C<3>}	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(N[5]N[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(N[5]N[5]){1|C<3>,1|N<2>,1|O<1>}	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|N<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(N[5]N[5]){1|C<3>,1|N<2>,1|O<1>}	124.7105	1.313	2	124.7105	1.724	2	124.7105	1.724	2	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]C)(S[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|C<4>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]C)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	120.3815	0.368	2	120.3815	0.136	2	121.0709	0.344	17	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]Cl)(S[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]Cl)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	120.7175	0.285	2	120.7175	0.081	2	121.0709	0.344	17	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]F)(S[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]F)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	121.5925	0.197	2	121.5925	0.039	2	121.0709	0.344	17	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]H)(S[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]H)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	120.6715	0.115	2	120.6715	0.013	2	121.0709	0.344	17	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]N)(S[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|N<2>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]N)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	121.3514	0.509	7	121.3514	0.259	7	121.0709	0.344	17	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(S[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|N<2>,1|O<2>}	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	121.0100	1.028	2	121.0100	1.057	2	121.0709	0.344	17	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[5,6]-3:O-1:	C[6]-3:C[5,6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[6](C[5,6]C[5,6]N[5])2(O)	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[6]N[5])(S[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]N[5])2(O){1|C<3>,4|S<2>}	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[6]N[5])(S[5]S[5]){1|O<1>,1|S<2>,3|C<3>}	120.9560	0.841	2	120.9560	0.708	2	120.9560	0.708	2	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]){1|C<2>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|N<2>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	121.8710	0.000	1	121.8710	0.000	1	121.8710	0.000	1	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]N[6]O)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]N[6]O)(N[5]C[5]){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(O[5]C[5]){1|N<3>,2|C<4>,2|O<1>}	121.3780	0.000	1	121.3780	0.000	1	121.3780	0.000	1	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]N[5])	C[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]N[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]N[5]){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,6]N[5])(O){2|C<3>,3|N<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]N[5]){1|C<3>,1|N<2>,1|O<1>}	124.2290	0.112	2	124.2290	0.012	2	124.2290	0.012	2	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6,6a]O)(N[5]S[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(S[5]S[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[6,6a]O)(N[5]S[5]){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,2|S<2>,3|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(S[5]S[5]){1|O<1>,2|C<3>}	118.9040	0.000	1	118.9040	0.000	1	118.9040	0.000	1	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:F-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]N[6]O)(F)	C[5,6](C[5,6]C[6]O[5])(C[6]N[6]O)(N[5]C[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(O[5]C[5]){1|N<3>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]N[6]O)(F){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[6]O[5])(C[6]N[6]O)(N[5]C[5]){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	121.3390	0.000	1	121.3390	0.000	1	121.3390	0.000	1	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[5,6]O)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]H)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	124.6050	0.000	1	124.6050	0.000	1	124.1465	0.420	2	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]O)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]O)(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]H)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	123.6880	0.000	1	123.6880	0.000	1	124.1465	0.420	2	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:Br-1:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(S[5]Se[5])	C[6](C[5,6]C[5,6]S[5])2(Br)	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(S[5]Se[5]){1|C<3>,1|C<4>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])2(Br){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Br<1>,1|C<3>,1|N<2>}	120.1715	0.073	2	120.1715	0.005	2	120.1715	0.005	2	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:Cl-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]Cl)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(Cl)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]Cl)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])2(Cl){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	121.3880	0.429	2	121.3880	0.184	2	121.3880	0.184	2	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:Cl-1:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(S[5]Se[5])	C[6](C[5,6]C[5,6]S[5])2(Cl)	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(S[5]Se[5]){1|C<3>,1|C<4>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])2(Cl){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	120.1349	0.371	7	120.1349	0.138	7	120.1349	0.138	7	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:F-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]F)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(F)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]F)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])2(F){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	120.0930	0.658	2	120.0930	0.432	2	120.0930	0.432	2	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]H)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(H)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]H)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])2(H){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	122.7835	0.158	2	122.7835	0.025	2	122.7835	0.025	2	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(S[5]N[5])	C[6](C[5,6]C[5,6]S[5])2(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(S[5]N[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(S[5]N[5]){1|C<3>,1|O<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])2(O){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(S[5]N[5]){1|C<3>,1|O<1>,1|S<2>}	123.2157	0.478	4	123.2157	0.228	4	123.2157	0.228	4	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]C)(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]C)(C[6]C[6]){2|C<3>,2|H<1>}	122.2190	0.000	1	122.2190	0.000	1	121.5897	0.322	3	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Pt)(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5]){1|Pt<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Pt)(C[6]C[6]){2|C<3>,2|H<1>}	121.4320	0.000	1	121.4320	0.000	1	121.5897	0.322	3	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Re)(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5]){1|Re<6>,1|C<3>,1|H<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Re)(C[6]C[6]){1|C<3>,1|S<2>,2|H<1>}	121.1180	0.000	1	121.1180	0.000	1	121.5897	0.322	3	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[5,6]-3:N[5]-2:	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]O)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]O)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(N[5]S[5])	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]O)(S[5]S[5]){1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]O)(O){1|N<2>,1|S<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(N[5]S[5]){1|H<1>,1|O<1>,3|C<3>}	122.7740	1.111	6	122.7740	1.235	6	122.7740	1.235	6	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5a,6]-3:C[5,6]-3:F-1:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]C[5a,6]F)(S[5]S[5])	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5])(F)	C[5,6](C[5,6]C[6]S[5])(N[6]C[5a,6]C)(N[5]S[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5a,6]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5])(F){1|N<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5a,6]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	120.1780	0.642	2	120.1780	0.412	2	120.1780	0.412	2	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(S[5]S[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6,6a]O)(N[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(S[5]S[5]){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6,6a]O)(N[5]S[5]){1|O<1>,2|C<3>}	124.9910	0.000	1	124.9910	0.000	1	124.9910	0.000	1	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6,6a]O)(S[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6,6a]O)(S[5]N[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[6,6a]O)(S[5]N[5]){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6,6a]O)(S[5]N[5]){1|O<1>,2|C<3>}	122.6519	0.272	8	122.6519	0.074	8	122.6519	0.074	8	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[5,6]-3:Br-1:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(Se[5]Se[5])	C[6](C[5,6]C[5,6]Se[5])2(Br)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Br)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]Se[5])2(Br){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|Br<1>,1|C<3>,1|N<2>}	119.8470	0.000	1	119.8470	0.000	1	119.8470	0.000	1	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[5,6]-3:Cl-1:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]S[5])	C[6](C[5,6]C[5,6]Se[5])2(Cl)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]S[5]){1|Se<2>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]Se[5])2(Cl){1|N<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	120.0230	0.341	3	120.0230	0.116	3	119.9701	0.178	7	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[5,6]-3:Cl-1:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]Se[5])	C[6](C[5,6]C[5,6]Se[5])2(Cl)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]Cl)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]Se[5])2(Cl){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|Cl<1>,1|C<3>,1|N<2>}	119.9305	0.523	4	119.9305	0.273	4	119.9701	0.178	7	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]S[5])	C[6](C[5,6]C[5,6]Se[5])2(H)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]S[5]){1|Se<2>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]Se[5])2(H){1|N<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	121.5555	0.137	4	121.5555	0.019	4	121.4405	0.025	8	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]Se[5])	C[6](C[5,6]C[5,6]Se[5])2(H)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]H)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]Se[5])2(H){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|C<3>,1|H<1>,1|N<2>}	121.3255	0.068	4	121.3255	0.005	4	121.4405	0.025	8	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:Se[5]-2:	C[5,6]-3:C[5,6]-3:I-1:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]I)(Se[5]Se[5])	C[6](C[5,6]C[5,6]Se[5])2(I)	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]I)(Se[5]Se[5]){1|Se<2>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]Se[5])2(I){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]Se[5]C[6])(N[6]C[5,6]C)(N[5]Se[5]){1|C<3>,1|I<1>,1|N<2>}	120.0040	0.000	1	120.0040	0.000	1	120.0040	0.000	1	121.5483	2.054	85	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	123.9920	0.000	1	123.9920	0.000	1	123.9920	0.000	1	123.1730	3.065	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Pt)(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5]){1|Pt<4>,1|C<2>,1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Pt)(C[6]C[6]H){1|H<1>,2|C<3>}	121.1630	0.000	1	121.1630	0.000	1	121.1630	0.000	1	123.1730	3.065	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:S[5]-2:	C[6,6a]-3:C[5,6]-3:O-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(C[6]C[6,6a]O)(S[5]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[6]S[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]N[5,6]C[6])(C[6]C[6,6a]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[6]S[5])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	124.3640	0.000	1	124.3640	0.000	1	124.3640	0.000	1	123.1730	3.065	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:4:	C[5,6]-3:C[6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(O)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	125.4890	0.000	1	125.4890	0.000	1	124.8130	0.914	2	124.8130	0.914	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:4:	C[5,6]-3:C[6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(O)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HO){1|H<1>,1|O<1>,3|C<3>}	124.1370	0.000	1	124.1370	0.000	1	124.8130	0.914	2	124.8130	0.914	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]O[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]O[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>}	121.0580	0.000	1	121.0580	0.000	1	121.0580	0.000	1	121.8068	4.113	9	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:P[5]-4:N[6]-3:	C[5,6](C[5,6]N[6]P[5])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(P[5]C[5]PdC)(N[6]C[6]Pd)	C[5,6](C[5,6]N[6]P[5])(C[6]C[6]H)(N[5]C[5]){1|Pd<4>,1|Pd<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[5,6](C[5,6]C[6]N[5])(P[5]C[5]PdC)(N[6]C[6]Pd){1|C<3>,1|C<4>,2|H<1>}	119.5190	0.000	1	119.6547	0.017	3	119.6547	0.017	3	121.8068	4.113	9	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:P[5]-4:N[6]-3:	C[5,6](C[5,6]N[6]P[5])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(P[5]C[5]PdC)(N[6]C[6]Pd)	C[5,6](C[5,6]N[6]P[5])(C[6]C[6]H)(N[5]C[5]){2|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[5,6](C[5,6]C[6]N[5])(P[5]C[5]PdC)(N[6]C[6]Pd){1|C<3>,1|C<4>,2|H<1>}	119.7225	0.084	2	119.6547	0.017	3	119.6547	0.017	3	121.8068	4.113	9	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5]){1|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	125.7540	0.000	1	125.7540	0.000	1	125.7540	0.000	1	121.8068	4.113	9	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	122.6213	0.247	4	122.6213	0.061	4	122.6213	0.061	4	121.8068	4.113	9	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]C)(H)	C[5,6](C[6,6]C[6,6]2C)(C[5,6]C[6]O[5])(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]H)(O[5]C[5]){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6]C[6,6]2C)(C[5,6]C[6]O[5])(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	127.2860	0.000	1	127.2860	0.000	1	127.2860	0.000	1	126.1790	2.451	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-3:O-1:	C[4,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[4,5]C[6])(C[6]C[6,6a]O)(O[5]C[4,5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(O)	C[5,6](C[4,5]C[4,5]C[6a]C[4])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[4,5]C[6])(C[6]C[6,6a]O)(O[5]C[4,5]){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[4,5]C[4,5]C[6a]C[4])(C[5,6]C[6]O[5])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	125.0720	0.000	1	125.0720	0.000	1	125.0720	0.000	1	126.1790	2.451	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:2:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:O-2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(OH)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]O)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])2(OH){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|N<2>,1|O<2>}	123.0040	1.840	2	123.0040	3.385	2	123.0040	3.385	2	123.0040	3.385	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6a]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(N[5]C[5]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6a]C[6])(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>}	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1	121.4964	2.415	12	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6a]C[6])(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(N[5]C[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6a]C[6])(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(N[5]C[5]){1|H<1>,2|C<4>,4|C<3>}	124.4060	0.000	1	124.4060	0.000	1	124.4060	0.000	1	121.4964	2.415	12	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:N-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]N)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(NOO)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]N)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])2(NOO){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|N<2>,1|N<3>}	120.7160	0.814	8	120.7160	0.663	8	120.7160	0.663	8	121.4964	2.415	12	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:C[5,6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[6]N[5])(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(C[6a]C[6a]2)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[6]N[5])(S[5]S[5]){1|O<1>,1|S<2>,3|C<3>}	C[6](C[5,6]C[5,6]S[5])2(C[6a]C[6a]2){2|H<1>,2|N<2>,2|S<2>,3|C<3>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|N<2>,2|C<3>}	123.4400	0.853	2	123.4400	0.727	2	123.4400	0.727	2	121.4964	2.415	12	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[5,6]-3:N[5]-2:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6](C[6]C[5a,6]C[6a])(C[5,6]C[5]C[6])(N[5]C[5])	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6]N[5])(C[6]N[5a,6]Re)(C[5]C[5]C)	C[5,6](C[6]C[5a,6]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]N[5a,6]Re)(C[5]C[5]C){1|H<1>,3|C<3>}	122.1200	0.000	1	122.1200	0.000	1	122.1200	0.000	1	122.1200	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:C-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(CNO)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(CNO){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H){2|C<3>,4|H<1>}	123.4480	0.000	1	123.4480	0.000	1	123.4480	0.000	1	123.4480	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:4:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]C)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])2(CH3)	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]C)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])2(CH3){1|C<3>,2|N<2>,2|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[5,6]O)(N[5]S[5]){1|C<3>,1|C<4>,1|N<2>}	124.0160	0.272	2	124.0160	0.074	2	124.0160	0.074	2	123.0765	1.212	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:4:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:N[6]-3:N[5]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]C)(S[5]Se[5])	C[6](C[5,6]C[5,6]S[5])2(CH3)	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5,6]C)(S[5]Se[5]){1|C<3>,1|C<4>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])2(CH3){2|Se<2>,1|N<3>,2|N<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5,6]C)(N[5]Se[5]){1|C<3>,1|C<4>,1|N<2>}	122.1370	0.180	2	122.1370	0.032	2	122.1370	0.032	2	123.0765	1.212	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	125.5550	0.000	1	125.5550	0.000	1	125.5550	0.000	1	125.9562	0.081	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6a]O)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]C[5]O)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]C)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	126.0985	0.166	2	126.0985	0.028	2	126.0985	0.028	2	125.9562	0.081	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6]-3:N[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6a]C[6])(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HO)	C[5,6](C[5,6]C[6]O[5])(N[6]C[6a]C[6])(C[5]C[5]H)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6a]C[6])(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HO){1|N<3>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]O[5])(N[6]C[6a]C[6])(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	126.0730	0.000	1	126.0730	0.000	1	126.0730	0.000	1	125.9562	0.081	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	126.3560	0.000	1	126.3560	0.000	1	126.3560	0.000	1	126.3560	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:4:1:	3:3:2:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[5,6]C[5]2C[6])(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]H)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[5,6]C[5]2C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>}	122.9700	0.000	1	122.9700	0.000	1	122.9700	0.000	1	122.9700	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:4:1:	3:4:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]O)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]O)(S[5]C[5]){1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(O[5]C[5]){1|H<1>,1|N<2>,1|O<1>,2|C<4>}	122.2510	0.000	1	122.2510	0.000	1	122.2510	0.000	1	122.2510	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:4:3:	3:3:2:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-4:C[6a]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(O[5]Si[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]MoH)(C[6a]C[6a]2)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(O[5]Si[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(O[5]Si[5]){1|Mo<7>,1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]MoH)(C[6a]C[6a]2){1|Si<4>,1|O<2>,1|P<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(O[5]Si[5]){1|Mo<7>,1|H<1>,3|C<3>,3|C<4>}	121.8450	0.304	2	121.8450	0.092	2	121.8450	0.092	2	121.8450	0.092	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:4:3:	3:4:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CC[6a]H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CC[6a]H){2|C<4>,4|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	123.8910	0.000	1	123.8910	0.000	1	123.8910	0.000	1	123.2855	0.733	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:4:3:	3:4:3:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CHO)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(C[5]S[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(S[5]S[5]){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CHO){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(C[5]S[5]H){1|C<3>,1|C<4>,2|H<1>}	122.6800	0.000	1	122.6800	0.000	1	122.6800	0.000	1	123.2855	0.733	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:4:4:	3:3:2:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]C)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]DyO)(CC3)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]C)(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]C)(S[5]C[5]){1|Dy<16>,1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]DyO)(CC3){1|O<2>,1|S<2>,2|C<3>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]C)(S[5]C[5]){1|Dy<16>,1|C<3>,1|O<2>,2|C<4>}	124.3065	0.556	2	124.3065	0.310	2	124.3065	0.310	2	124.3065	0.310	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:4:4:	3:3:4:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	127.2970	0.000	1	127.2970	0.000	1	127.2970	0.000	1	127.2970	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	3:4:4:	3:4:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CCCH)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>}	127.2390	0.491	2	127.2390	0.241	2	127.2390	0.241	2	127.2390	0.241	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	4:3:1:	3:3:2:	C[5,6]-3:C[6]-3:O[5]-2:	C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]H)(O[5]C[5])	C[6](C[6,6]C[5,6]C[6]2)(C[5,6]C[5,6]O[5])(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]H)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6]2)(C[5,6]C[5,6]O[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>}	123.0660	0.000	1	123.0660	0.000	1	123.0660	0.000	1	123.0660	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	4:3:1:	3:4:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5])	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]O[5])(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5]){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]O[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>}	126.3830	0.000	1	126.3830	0.000	1	125.9875	0.313	2	125.9875	0.313	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:	4:3:1:	3:4:3:	C[5,6]-3:C[6]-3:O[5]-2:	C[6,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5])	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5])(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]O[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6]HH)(C[5]C[5]C){1|H<1>,1|O<1>,3|C<4>}	125.5920	0.000	1	125.5920	0.000	1	125.9875	0.313	2	125.9875	0.313	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:1:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6]-2:H-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Pt)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Pt)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5]){1|Pt<4>,1|C<2>,1|C<3>,2|H<1>}	119.6630	0.000	1	119.6630	0.000	1	119.6630	0.000	1	118.9350	0.293	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:1:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-2:O-1:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]){1|Pt<4>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	119.2590	0.000	2	119.2590	0.000	2	118.7894	0.207	5	118.9350	0.293	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:1:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-2:O-1:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	118.2250	0.000	1	118.2250	0.000	1	118.7894	0.207	5	118.9350	0.293	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:1:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-2:O-1:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Ru)(C[6]N[6]O)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Ru)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(O){1|Ru<9>,1|C<3>,1|N<3>,2|N<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Ru<9>,1|H<1>,1|O<1>,2|N<2>}	118.6020	0.008	2	118.6020	0.000	2	118.7894	0.207	5	118.9350	0.293	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[6]-2:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<2>,4|H<1>}	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	119.7575	1.684	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6]-2:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Cu)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Cu)(C[6]C[6]H){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|Cu<4>,1|C<2>,1|S<2>,2|H<1>}	118.8400	0.000	1	118.8400	0.000	1	118.8400	0.000	1	119.7575	1.684	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-2:H-1:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6])(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6])(H){1|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|C<2>,1|H<1>,7|C<3>}	120.8170	0.000	1	120.8170	0.000	1	120.8170	0.000	1	120.8170	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:N[6]-2:N-3:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NCH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]H)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Pt<6>,1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NCH){1|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]H){1|N<2>,1|N<3>,3|H<1>}	119.7290	0.000	1	119.7290	0.000	1	119.3102	1.383	12	119.0206	1.416	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:N[6]-2:N-3:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]Co)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){2|Co<6>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]Co){1|N<2>,1|N<3>,3|H<1>}	119.0397	1.707	4	119.0397	2.913	4	119.3102	1.383	12	119.0206	1.416	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:N[6]-2:N-3:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]H)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Co<6>,1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,1|H<1>,3|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]H){1|N<2>,2|H<1>,2|N<3>}	119.8010	0.068	2	119.8010	0.005	2	119.3102	1.383	12	119.0206	1.416	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:N[6]-2:N-3:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Cu)(N[6]C[6]Cu)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){2|Cu<5>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Cu)(N[6]C[6]Cu){1|N<2>,1|N<3>,3|H<1>}	119.0630	1.268	4	119.0630	1.609	4	119.3102	1.383	12	119.0206	1.416	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:3:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:N[6]-2:N-3:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Ni)(N[6]C[6]Ni)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){2|Ni<6>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Ni)(N[6]C[6]Ni){1|N<2>,1|N<3>,3|H<1>}	119.9800	0.000	1	119.9800	0.000	1	119.3102	1.383	12	119.0206	1.416	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:2:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-2:N-3:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Co)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]Co)	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Co)(C[6]N[6]N){2|Co<6>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|Co<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]Co){1|Co<4>,1|N<2>,1|N<3>,2|H<1>}	118.1520	0.817	4	118.1520	0.667	4	118.1520	0.667	4	119.0206	1.416	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:2:2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-2:S[5]-2:	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6])(S[5]C[5])	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6])(S[5]C[5]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:2:3:	N[5]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6](N[5]In[5,5]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]N[5])(O[5]In[5,5])(C[6]C[6]C)	C[5,6](N[5]In[5,5]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]H){1|I<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)(H){1|In<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(O[5]In[5,5])(C[6]C[6]C){1|C<4>,1|I<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.8915	0.819	4	118.8915	0.670	4	118.8915	0.670	4	118.8915	0.670	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(C[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	122.1250	0.000	1	122.1250	0.000	1	122.1250	0.000	1	123.2713	6.269	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:S[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(S[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(S[6]C[6]){2|H<1>,3|C<3>}	125.2575	1.381	2	125.2575	1.907	2	125.2575	1.907	2	123.2713	6.269	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:Se[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]Se[6]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(Se[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]Se[6]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(Se[6]C[6]){2|H<1>,3|C<3>}	122.8575	3.987	2	122.8575	15.899	2	122.8575	15.899	2	123.2713	6.269	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[6]S[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O)	C[5,6](C[5,6]N[5,6]C[6])(C[6]C[6,6a]O)(S[5]C[5,6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[6]S[5])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(C[6]C[6,6a]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	121.2730	0.000	1	121.2730	0.000	1	121.2730	0.000	1	123.2713	6.269	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C){1|O<1>,4|C<3>}	123.8730	0.000	1	123.8730	0.000	1	123.8730	0.000	1	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]B[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]B[5])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru){1|B<3>,2|H<1>,3|C<3>}	114.0785	0.185	2	114.0785	0.034	2	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Cu)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Cu){2|H<1>,4|C<3>}	115.3105	0.118	2	115.4211	0.362	10	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Cu)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Cu){1|C<4>,2|H<1>,3|C<3>}	115.2347	0.650	6	115.4211	0.362	10	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Cu)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Cu){2|H<1>,4|C<3>}	116.0910	0.041	2	115.4211	0.362	10	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ni)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ni){2|H<1>,4|C<3>}	115.4565	0.770	2	115.4565	0.593	2	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Rh)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Rh){1|C<4>,2|H<1>,3|C<3>}	115.3910	0.389	2	115.1746	0.228	10	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Rh)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Rh){1|C<4>,2|H<1>,3|C<3>}	115.1058	0.228	4	115.1746	0.228	10	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Rh)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Rh){2|H<1>,4|C<3>}	115.1352	0.736	4	115.1746	0.228	10	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru){1|C<4>,2|H<1>,3|C<3>}	113.3218	0.521	5	113.3218	0.272	5	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Cu)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C[5])(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Cu){2|H<1>,4|C<3>}	116.4510	0.344	2	116.4510	0.118	2	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pt)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pt){2|H<1>,4|C<3>}	113.9770	0.103	2	113.9770	0.011	2	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru){3|C<3>,3|H<1>}	113.9827	0.532	4	113.9827	0.283	4	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Zn)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Zn){3|C<3>,3|H<1>}	113.7560	0.117	2	113.7560	0.014	2	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ag)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ag){1|O<1>,2|H<1>,3|C<3>}	118.8245	0.172	2	118.8245	0.030	2	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Co)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Co){1|O<1>,2|H<1>,3|C<3>}	117.5037	0.659	8	117.5037	0.434	8	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ni)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ni){1|O<1>,2|H<1>,3|C<3>}	117.3697	0.282	3	117.3697	0.080	3	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pd){1|Pd<4>,1|O<1>,2|H<1>,3|C<3>}	121.4472	0.558	4	121.4472	0.312	4	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Zn)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Zn){1|O<1>,2|H<1>,3|C<3>}	117.7775	0.066	2	117.7775	0.004	2	115.9839	4.663	58	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[5])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){2|H<1>,4|C<3>}	118.2220	0.000	1	118.2220	0.000	1	120.0653	1.087	6	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C){1|O<1>,2|H<1>,3|C<3>}	120.4475	0.811	2	120.4475	0.658	2	120.0653	1.087	6	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	120.0120	0.000	1	120.0120	0.000	1	120.0653	1.087	6	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd){1|O<1>,2|H<1>,3|C<3>}	120.1620	0.000	1	120.1620	0.000	1	120.0653	1.087	6	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Ru){1|O<1>,2|H<1>,3|C<3>}	121.1010	0.000	1	121.1010	0.000	1	120.0653	1.087	6	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]C)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O){1|C<4>,1|N<3>,3|C<3>}	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.5700	0.000	1	120.5700	0.000	1	120.5700	0.000	1	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	119.9970	0.000	1	121.1475	2.647	2	121.1475	2.647	2	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,2|O<1>,4|C<3>}	122.2980	0.000	1	121.1475	2.647	2	121.1475	2.647	2	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<2>,4|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,3|H<1>}	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Cu)(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|Cu<4>,1|C<2>,1|S<2>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Cu)(C[6]C[6]H){1|C<3>,1|S<2>,2|H<1>}	122.9750	0.000	1	122.9750	0.000	1	122.9750	0.000	1	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:N[6]-3:Cl-1:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]H)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]Cl)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl){1|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	114.5740	0.000	1	114.5740	0.000	1	114.5740	0.000	1	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]Pt)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]C){2|Pt<4>,1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]Pt){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	120.7580	0.000	1	120.7580	0.000	1	121.0830	0.302	3	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:N[5]-3:N[6]-3:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Ru)(N[6]C[6]Ru)	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]O)(N[5]C[5]H){2|Ru<6>,1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Ru)(N[6]C[6]Ru){1|N<3>,1|O<1>,3|H<1>}	121.2455	0.667	2	121.2455	0.445	2	121.0830	0.302	3	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|O<1>,2|C<3>,3|C<4>}	122.9475	0.144	2	122.9475	0.021	2	124.3093	4.960	4	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]H){1|O<1>,2|C<3>,2|C<4>}	127.6000	0.000	1	127.6000	0.000	1	124.3093	4.960	4	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.7420	0.000	1	123.7420	0.000	1	124.3093	4.960	4	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	124.9000	0.000	1	124.9000	0.000	1	124.9000	0.000	1	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Cr<6>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Cr<6>,1|O<1>,5|C<3>}	124.0490	0.066	2	123.7364	0.100	14	123.7364	0.100	14	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	123.7780	0.000	1	123.7364	0.100	14	123.7364	0.100	14	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ir<4>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ir<4>,1|O<1>,5|C<3>}	124.0060	0.037	2	123.7364	0.100	14	123.7364	0.100	14	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ir<6>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ir<6>,1|O<1>,5|C<3>}	123.7330	0.000	1	123.7364	0.100	14	123.7364	0.100	14	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ni<7>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Ni<7>,1|O<1>,5|C<3>}	123.6085	0.503	2	123.7364	0.100	14	123.7364	0.100	14	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|O<1>,1|W<6>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|O<1>,1|W<6>,5|C<3>}	123.6985	0.508	2	123.7364	0.100	14	123.7364	0.100	14	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	123.5190	0.454	2	123.7364	0.100	14	123.7364	0.100	14	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Pd<4>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Pd<4>,1|O<1>,5|C<3>}	123.5920	0.000	1	123.7364	0.100	14	123.7364	0.100	14	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Pt<4>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[6a]C[5])(C[6]C[6,6a]O){1|Pt<4>,1|O<1>,5|C<3>}	123.4450	0.000	1	123.7364	0.100	14	123.7364	0.100	14	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]N)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]N)(O){5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|H<1>,1|O<1>,5|C<3>}	120.7960	0.000	1	121.7755	1.919	2	121.7755	1.919	2	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]N)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]N)(O){5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<1>,1|O<2>,5|C<3>}	122.7550	0.000	1	121.7755	1.919	2	121.7755	1.919	2	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O)	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]C)(C[6]C[6]O)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	118.5280	14.707	96	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[3,6]O)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[3,6]O)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.2730	0.000	1	124.2730	0.000	1	124.2730	0.000	1	123.4965	1.206	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6,6a]O){2|C<4>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC){2|O<1>,3|C<3>}	122.7200	0.000	1	122.7200	0.000	1	122.7200	0.000	1	123.4965	1.206	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-2:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H){1|C<3>,1|P<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]){1|C<3>,1|P<3>,3|H<1>}	121.2260	0.000	1	121.2260	0.000	1	121.2260	0.000	1	121.1757	0.065	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:S[5]-4:C[6]-2:	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(S[5]N[5]OO)(C[6]C[6])	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]O)(C[6]C[6]H){1|C<3>,1|H<1>,2|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,1|O<2>,1|S<4>}	C[5,6](C[5,6]C[5]C[6])(S[5]N[5]OO)(C[6]C[6]){1|C<3>,1|O<2>,2|H<1>}	120.9000	0.000	1	120.9000	0.000	1	120.9000	0.000	1	121.1757	0.065	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:B[5]-4:C[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]N[6]C)(C[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]N[6]C)(C[6]C[6]){2|H<1>,5|C<3>}	121.4010	0.000	1	121.4010	0.000	1	121.4010	0.000	1	121.1757	0.065	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){3|H<1>,3|O<1>,6|C<3>}	122.6943	0.844	3	122.6943	0.712	3	122.6943	0.712	3	121.9568	4.230	9	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6](C[5,6]B[6]C[5])(C[6]C[5,6]H)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])2(H)	C[5,6](C[5,6]C[5]C[6])(B[6]C[5,6]FF)(C[5]C[5]C)	C[5,6](C[5,6]B[6]C[5])(C[6]C[5,6]H)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6](C[5,6]C[5,6]C[5])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(B[6]C[5,6]FF)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	120.6245	0.237	2	120.6245	0.056	2	120.6245	0.056	2	121.9568	4.230	9	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>}	124.2380	0.000	1	124.2380	0.000	1	124.2380	0.000	1	121.9568	4.230	9	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	122.0110	0.000	1	122.0110	0.000	1	122.0110	0.000	1	121.9568	4.230	9	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6](N[5,5]Nb[5,5]C[5,6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H)	C[5,6](N[5,5]Nb[5,5]C[5,6])(C[5,6]C[6]P[5])(C[6]C[6]H){3|Cl<1>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H)(H){1|Nb<6>,1|P<4>,3|C<3>}	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H){3|Cl<1>,1|H<1>,1|P<4>,3|C<3>}	117.8370	0.000	1	117.8370	0.000	1	117.8370	0.000	1	121.9568	4.230	9	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:3:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O)	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O){1|C<3>,1|N<3>,3|C<4>}	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	124.1930	0.000	1	124.1930	0.000	1	124.1930	0.000	1	121.9568	4.230	9	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:4:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,5]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH){1|H<1>,1|O<2>,7|C<3>}	124.2080	0.000	1	124.2080	0.000	1	124.2080	0.000	1	121.8035	11.563	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:4:4:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]N[6])(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]N[6])(H){2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	119.3990	0.000	1	119.3990	0.000	1	119.3990	0.000	1	121.8035	11.563	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	Se[5,5]-4:C[5,6]-3:C[6]-2:	C[5,6](C[5,6]Se[5,5]C[6])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](Se[5,5]C[5,6a]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6])	C[5,6](C[5,6]Se[5,5]C[6])(C[5]N[5]O)(C[6]C[6]H){1|H<1>,1|N<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Se<4>,1|C<2>,1|H<1>,1|N<3>,1|O<3>}	C[5,6](Se[5,5]C[5,6a]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6]){1|O<3>,3|H<1>,6|C<3>}	118.6290	0.000	1	118.6290	0.000	1	118.6290	0.000	1	119.4460	1.335	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-2:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6])	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]H)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6]){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	120.2630	0.000	1	120.2630	0.000	1	120.2630	0.000	1	119.4460	1.335	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,5]-3:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[5,6](C[5]C[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6,6a]H)	C[5,6](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5]C[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6,6a]H){1|O<1>,8|C<3>}	121.1410	0.000	1	121.1410	0.000	1	121.1410	0.000	1	119.5122	1.103	11	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	P[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H)	C[5,6](P[5]C[5,6]C[6a]C)(C[5,6]C[5,6]C[6])(C[6]N[6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6](P[5]C[5,6]C[6a]C)(C[5,6]C[5,6]C[6])(C[6]N[6]H){1|C<4>,1|H<1>,5|C<3>}	119.5690	0.219	2	119.5690	0.048	2	119.4085	0.238	4	119.5122	1.103	11	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	P[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H)	C[5,6](P[5]C[5,6]C[6a]O)(C[5,6]C[5,6]C[6])(C[6]N[6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6](P[5]C[5,6]C[6a]O)(C[5,6]C[5,6]C[6])(C[6]N[6]H){1|C<4>,1|H<1>,5|C<3>}	119.2480	0.750	2	119.2480	0.562	2	119.4085	0.238	4	119.5122	1.103	11	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]P[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]C[6]H){1|C<2>,2|P<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,5]C[5,5]P[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){2|C<3>,2|P<3>,3|H<1>}	119.8410	0.000	1	119.8410	0.000	1	119.8410	0.000	1	119.5122	1.103	11	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|H<1>,2|O<1>,6|C<3>}	120.4920	0.000	1	120.4920	0.000	1	120.4920	0.000	1	119.5122	1.103	11	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]N[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	120.3920	0.000	1	120.3920	0.000	1	120.3920	0.000	1	119.5122	1.103	11	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[6]-3:H-1:	C[5]-4:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(N[6]C[6]H)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(N[6]C[6]H){4|C<3>,4|H<1>}	118.3780	0.979	3	118.3780	0.959	3	118.3780	0.959	3	119.5122	1.103	11	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[4,5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[4,5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[4,5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[4,5]C[4,5]C[4]O[5])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.9770	0.000	1	121.9770	0.000	1	121.9770	0.000	1	122.2885	0.194	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[4,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]H)(H)	C[5,6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]O)(C[6]C[6]H){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	122.6000	0.000	1	122.6000	0.000	1	122.6000	0.000	1	122.2885	0.194	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:N-2:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cd)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cd)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO){1|Cd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cd<4>,1|N<2>,1|N<3>,2|H<1>}	119.7170	1.680	4	118.7357	2.617	8	118.7357	2.617	8	119.9000	3.265	22	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:N-2:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cd)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cd)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cd<6>,1|N<2>,1|N<3>,2|H<1>}	117.7545	0.846	4	118.7357	2.617	8	118.7357	2.617	8	119.9000	3.265	22	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:O-2:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cu)(C[6]N[6]O)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cu)(C[6]N[6]O){1|C<1>,1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu){1|Cu<5>,1|C<3>,1|N<2>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cu<5>,1|H<1>,1|O<2>,2|N<3>}	118.5090	0.000	1	118.5090	0.000	1	118.8502	0.527	5	119.9000	3.265	22	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:O-2:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<4>,1|N<3>,1|O<2>,2|H<1>}	118.9355	0.809	4	118.9355	0.654	4	118.8502	0.527	5	119.9000	3.265	22	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:S-2:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Co)(C[6]N[6]S)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SCo)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Co)(C[6]N[6]S){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SCo){1|C<3>,1|N<2>,2|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]2)(N[6]C[6]){1|Co<6>,1|C<4>,1|O<2>,1|S<2>,2|H<1>,2|N<3>}	121.8970	0.400	6	121.8970	0.160	6	121.5180	1.028	9	119.9000	3.265	22	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:S-2:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Fe)(C[6]N[6]S)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SFe)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Fe)(C[6]N[6]S){1|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SFe){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6]){1|Fe<6>,1|N<3>,1|S<2>,2|H<1>}	120.1930	0.000	1	120.1930	0.000	1	121.5180	1.028	9	119.9000	3.265	22	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:S-2:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Ru)(C[6]N[6]S)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SRu)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Ru)(C[6]N[6]S){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SRu){1|C<2>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6]){1|Ru<9>,1|H<1>,1|N<3>,1|S<2>}	122.5190	0.000	1	122.5190	0.000	1	121.5180	1.028	9	119.9000	3.265	22	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:S-2:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Sn)(C[6]N[6]S)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]Sn)(SSn)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Sn)(C[6]N[6]S){1|Sn<5>,1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]Sn)(SSn){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(N[6]C[6]){1|Sn<5>,1|H<1>,1|N<3>,2|S<2>}	119.5680	0.000	1	119.5680	0.000	1	121.5180	1.028	9	119.9000	3.265	22	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-2:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(OH)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(OH){1|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[5]C[5,6]C){1|O<2>,4|C<3>}	121.5990	0.000	1	121.5990	0.000	1	121.5990	0.000	1	120.1460	4.222	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:N[6]-2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6])	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]N[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]N[6]){1|Ru<6>,1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6]){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	118.6930	0.000	1	118.6930	0.000	1	118.6930	0.000	1	120.1460	4.222	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:2:	4:3:3:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-2:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	123.8940	0.000	1	123.8940	0.000	1	123.8940	0.000	1	123.8940	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[5a]-3:N[6]-3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]C[5a]N[6])(N[5]C[5]Pd)	C[6](C[5,6]C[5,6]N[5])(C[5a]C[5a]O[5a])(N[6]C[6]Pd)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5a]N[6])(N[5]C[5]Pd){1|Pd<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[5a]C[5a]O[5a])(N[6]C[6]Pd){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pd<4>,1|C<3>,1|N<3>,2|H<1>}	119.0720	0.000	1	119.0720	0.000	1	119.0720	0.000	1	120.2566	4.692	14	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:N[6]-3:N-3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Co<6>,1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]){2|N<3>,3|H<1>}	119.6030	0.000	1	119.6030	0.000	1	119.4860	0.027	2	120.2566	4.692	14	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:N[6]-3:N-3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(C[6]N[6]N)(N[5]C[5]H){1|Pt<4>,1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Pt)(N[6]C[6]){2|N<3>,3|H<1>}	119.3690	0.000	1	119.3690	0.000	1	119.4860	0.027	2	120.2566	4.692	14	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:N-3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Co)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]Co)(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Co)(C[6]N[6]N){2|Co<6>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]Co)(NHH){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Co)(N[6]C[6]){1|Co<6>,2|H<1>,2|N<3>}	117.4145	0.853	2	117.4145	0.728	2	120.5044	5.770	11	120.2566	4.692	14	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:N-3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cu)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Cu)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Cu<4>,2|H<1>,2|N<3>}	118.7780	0.590	2	118.7780	0.348	2	120.5044	5.770	11	120.2566	4.692	14	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:N-3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]Pt)(NHH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]N){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]Pt)(NHH){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<4>,2|H<1>,2|N<3>}	118.8720	0.000	1	118.8720	0.000	1	120.5044	5.770	11	120.2566	4.692	14	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:N[6]-3:N-3:	C[5,6]-3:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]N)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]Pt)(NPtH)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6])	C[5,6](C[5,6]N[5]N[6])(N[5]C[5]Pt)(C[6]N[6]N){1|Pt<6>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]Pt)(NPtH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]){1|Pt<6>,2|H<1>,2|N<3>}	122.3818	1.245	6	122.3818	1.550	6	120.5044	5.770	11	120.2566	4.692	14	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6])	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N[6])(N[6]N[6]Ru)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6]){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N[6])(N[6]N[6]Ru){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	118.0720	0.000	1	118.0720	0.000	1	118.0720	0.000	1	118.0720	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(N[5]C[6a]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(N[5]C[6a]C[5]){1|H<1>,2|C<4>,2|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){2|O<1>,3|C<3>}	124.3830	0.000	1	124.3830	0.000	1	124.3830	0.000	1	124.3830	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a])	C[6](C[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	122.7730	0.337	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6,6]-3:C[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a])	C[6](C[6,6]C[5,6,6]C[6,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	123.0840	0.307	2	123.0840	0.094	2	123.0840	0.094	2	122.7730	0.337	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:3:4:	3:4:4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]O[5]O)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]O[5]O){1|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	123.5240	0.000	1	123.5240	0.000	1	123.5240	0.000	1	123.5240	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]C[6]H)(H){1|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	123.0245	0.359	2	123.0245	0.129	2	123.0245	0.129	2	123.1560	0.116	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:S[6]-4:Br-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]S[6]Br)	C[6](C[5,6]C[5,6a]C[5,6])(S[6]C[6,6a]OO)(Br)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]S[6]Br){1|H<1>,2|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(S[6]C[6,6a]OO)(Br){5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|Br<1>,1|H<1>,1|S<4>,6|C<3>}	123.4190	0.000	1	123.4190	0.000	1	123.4190	0.000	1	123.1560	0.116	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:4:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,6|C<3>}	122.4660	0.000	1	122.4660	0.000	1	122.4660	0.000	1	122.4660	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:4:1:	3:4:2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]C)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]C)(C[6]C[6]O){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	119.6210	0.249	2	119.6210	0.062	2	120.2677	1.286	3	120.7304	1.276	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:4:1:	3:4:2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	121.5610	0.000	1	121.5610	0.000	1	120.2677	1.286	3	120.7304	1.276	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:4:1:	3:4:2:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(N[5]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(N[5]C[5]C[6])(C[6]C[6]O){1|N<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5]){1|N<2>,1|O<1>,4|C<4>}	120.7430	0.000	1	120.7430	0.000	1	120.7430	0.000	1	120.7304	1.276	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:4:1:	3:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,6]C[6]S[5]2)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[6]O){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,6]C[6]S[5]2)(N[5]C[5,6a]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	122.1060	0.000	1	122.1060	0.000	1	122.1060	0.000	1	120.7304	1.276	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:4:3:	3:3:2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	119.6280	0.000	1	119.6280	0.000	1	119.4760	0.046	2	119.4760	0.046	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:4:3:	3:3:2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	119.3240	0.000	1	119.3240	0.000	1	119.4760	0.046	2	119.4760	0.046	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CCH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CCH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	124.4970	0.000	1	124.4970	0.000	1	124.4970	0.000	1	124.4970	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	4:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6]C[5,6]C[6a])	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,2|N<2>,8|C<3>}	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){1|C<4>,1|H<1>,6|C<3>}	121.8140	0.000	1	121.8140	0.000	1	121.8140	0.000	1	121.8140	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5,6]-3:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6,6]C[6a])(C[5,6]C[5,6]C[5])	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cl)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6,6]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cl){1|C<4>,6|C<3>}	123.6240	0.000	1	123.6240	0.000	1	123.6240	0.000	1	123.6240	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:	4:3:4:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]C){1|Ru<8>,1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3){2|C<3>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH){1|Ru<8>,5|C<4>}	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	121.5870	0.000	1	121.5870	0.000	1	121.5945	0.000	2	121.5945	0.000	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6,6a]O)(C[5]C[5]HO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.6020	0.000	1	121.6020	0.000	1	121.5945	0.000	2	121.5945	0.000	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC){2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6,6a]O){2|C<4>,2|O<1>,4|C<3>}	122.4320	0.000	1	122.4320	0.000	1	122.4320	0.000	1	122.7160	0.080	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6,6a]O)(C[5]O[5]CC)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6,6a]O)(C[5]O[5]CC){1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	122.8580	0.198	2	122.8580	0.039	2	122.8580	0.039	2	122.7160	0.080	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[6](C[5,6]C[5,6]C[5])2(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])2(O){1|C<3>,8|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	121.8237	0.267	6	121.8237	0.072	6	121.8566	0.055	8	121.9694	0.759	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[6](C[5,6]C[5,6]C[5])2(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|S<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])2(O){1|C<3>,8|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	121.9555	0.011	2	121.9555	0.000	2	121.8566	0.055	8	121.9694	0.759	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5,6]-3:S-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC)	C[6](C[5,6]C[5,6]C[5])2(S)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])2(S){1|C<3>,8|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|S<1>,2|H<1>,3|C<4>}	121.2570	0.195	2	121.2570	0.038	2	121.2570	0.038	2	121.9694	0.759	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	122.4505	0.591	4	122.4505	0.350	4	122.3573	1.788	6	121.9694	0.759	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	124.1440	0.000	1	124.1440	0.000	1	122.3573	1.788	6	121.9694	0.759	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.1980	0.000	1	120.1980	0.000	1	122.3573	1.788	6	121.9694	0.759	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:4:2:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:N[5,6]-3:O-1:	C[5,6]-3:C[5]-4:O[6]-2:	C[5,6](C[5,6]C[5]O[6])(C[6]N[5,6]O)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(N[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6])	C[5,6](C[5,6]C[5]O[6])(C[6]N[5,6]O)(C[5]C[5]HH){2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[5,6]){1|N<3>,1|O<1>,3|C<4>,3|H<1>}	119.8880	0.000	1	119.8880	0.000	1	119.8880	0.000	1	119.8880	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:4:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[6](C[5,6]C[5,6]C[5])2(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){1|Cu<2>,1|Cu<3>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])2(H){9|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	120.7740	0.385	2	120.5577	0.167	4	120.5577	0.167	4	120.5577	0.167	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:4:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[6](C[5,6]C[5,6]C[5])2(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){2|Cu<2>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])2(H){9|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	120.3415	0.407	2	120.5577	0.167	4	120.5577	0.167	4	120.5577	0.167	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	121.7745	0.292	2	121.7745	0.085	2	121.7745	0.085	2	122.1973	0.579	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	123.0430	0.000	1	123.0430	0.000	1	123.0430	0.000	1	122.1973	0.579	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:	4:3:4:	C[5,6]-3:C[6]-3:C[5,5]-4:	C[6,6a]-3:C[5,6]-3:O-1:	C[3,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6a]O)(C[5,5]C[5]3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5,5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6a]O)(C[5,5]C[5]3){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5,5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,6|H<1>}	123.9800	0.000	1	123.9800	0.000	1	123.9800	0.000	1	123.9800	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5a]-3:N[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(N[6]C[6]Pt)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH){1|Pt<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(N[6]C[6]Pt){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	119.6833	0.487	4	119.6833	0.237	4	119.6833	0.237	4	119.3643	1.429	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6]-3:N[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]N[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N[6])(N[6]N[6]Zn)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]N[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]N[6])(C[5]C[5]HH){1|Zn<6>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N[6])(N[6]N[6]Zn){1|Zn<6>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]N[6])(C[5]C[5]HH){1|Zn<6>,2|C<3>,2|N<3>,4|H<1>}	118.0848	0.655	6	118.0848	0.429	6	118.0848	0.429	6	119.3643	1.429	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H){1|Pt<4>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH){1|Pt<4>,1|S<2>,3|C<3>,4|H<1>}	120.2535	0.571	4	120.2535	0.326	4	120.3032	0.257	5	119.3643	1.429	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H){1|Pt<4>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[5]C[5]HH){1|Pt<4>,4|C<3>,4|H<1>}	120.5020	0.000	1	120.5020	0.000	1	120.3032	0.257	5	119.3643	1.429	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[5]C[5]HH){1|Pt<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]Pt){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	121.0710	0.000	1	121.0710	0.000	1	121.0710	0.000	1	119.3643	1.429	16	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:	3:4:2:	C[5,6]-3:C[6]-3:P[5]-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(P[5]C[5]PdC)	C[6](C[5,6]C[5,6]P[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(P[5]C[5]PdC){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]P[5])(C[6a]C[6a]2)(C[6]C[6]H){1|Pd<4>,1|H<1>,2|C<3>,3|C<4>,3|O<2>}	C[5,6](C[5,6]C[6]P[5])(C[6]C[6]HH)(O[5]C[5]){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	118.2620	0.000	1	118.2620	0.000	1	118.2620	0.000	1	118.2620	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6,6]-3:C-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]C)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5]C[6])(C[5]C[5]O){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	122.3295	0.431	2	122.3295	0.185	2	122.3295	0.185	2	122.6607	0.655	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6,6]-3:C-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O){1|S<2>,4|C<3>,5|H<1>}	121.4560	0.000	1	121.4560	0.000	1	121.4560	0.000	1	122.6607	0.655	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[6]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]C[5]C)	C[5,6](C[6]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<2>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|C<4>,2|C<2>,3|H<1>,6|C<3>}	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]C[5]C){1|O<1>,2|C<2>,7|C<3>}	123.2830	0.357	3	123.2830	0.128	3	123.2830	0.128	3	122.6607	0.655	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	3:4:4:	3:4:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[6,6]-4:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]3)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]N[5]HH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]3)(CH3){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]C){1|S<4>,2|C<4>,4|H<1>}	123.4410	0.000	1	123.4410	0.000	1	123.4410	0.000	1	123.4410	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	4:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[3,6]-4:C[5,6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC)	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5,6]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>,3|C<4>}	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	4:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5]Hf)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Hf<12>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[5,6]C[5,6]C[5])(H){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Hf<12>,2|C<4>,5|H<1>}	122.2970	0.000	1	122.0010	0.175	2	122.0010	0.175	2	122.1938	0.212	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	4:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5]Hf)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Hf<12>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[5,6]C[5,6]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Hf<12>,2|C<4>,5|H<1>}	121.7050	0.000	1	122.0010	0.175	2	122.0010	0.175	2	122.1938	0.212	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	4:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:H-1:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Zr<13>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(H){1|Si<5>,1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|Zr<13>,2|C<3>,2|C<4>,5|H<1>}	122.7560	0.000	1	122.3223	0.275	3	122.3223	0.275	3	122.1938	0.212	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	4:3:1:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:H-1:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Zr<14>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(H){1|Si<5>,1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|Zr<14>,2|C<3>,2|C<4>,5|H<1>}	122.1055	0.517	2	122.3223	0.275	3	122.3223	0.275	3	122.1938	0.212	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	4:3:1:	4:3:2:	C[5,6]-3:C[6]-3:C[5]-4:	C[6,6]-4:C[5,6]-3:O-1:	C[6,6]-4:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6]O[5])(C[6]C[6,6]O)(C[5]C[5]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6]O[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(O[5]C[5]){2|O<1>,3|H<1>,5|C<4>}	122.0833	0.529	3	122.0833	0.280	3	122.0833	0.280	3	122.0833	0.280	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	4:3:3:	3:3:4:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|Zr<13>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Zr<13>,1|C<3>,2|C<4>,4|H<1>}	121.9820	0.000	1	122.1580	0.196	3	122.1580	0.196	3	122.1580	0.196	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	4:3:3:	3:3:4:	C[6]-3:C[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|Zr<14>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]HH){1|Zr<14>,1|C<3>,2|C<4>,4|H<1>}	122.2460	0.588	2	122.1580	0.196	3	122.1580	0.196	3	122.1580	0.196	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	4:3:4:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH)	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH){1|Ru<8>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]C){1|Ru<8>,1|H<1>,5|C<4>}	123.9970	0.000	1	123.9970	0.000	1	123.9970	0.000	1	123.9970	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	4:3:4:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH){1|Fe<10>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[5,6]C[5,6]C[5])(CH3){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH){1|Fe<10>,3|C<4>,4|H<1>}	122.7885	0.114	2	122.7885	0.013	2	122.8125	0.081	4	122.8125	0.081	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:	4:3:4:	3:3:4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH){1|Ru<10>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[5,6]C[5,6]C[5])(CH3){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]HH){1|Ru<10>,3|C<4>,4|H<1>}	122.8365	0.477	2	122.8365	0.228	2	122.8125	0.081	4	122.8125	0.081	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:2:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:S[6]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]H)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]H){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	123.2605	0.527	2	123.2605	0.278	2	123.2605	0.278	2	123.2605	0.278	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:2:3:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[6]-2:N-3:	C[5]-4:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]N)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6])(NCH)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]N){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6])(NCH){2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(N[6]C[6]H){1|N<2>,2|C<3>,2|N<3>,4|H<1>}	117.8780	0.000	1	117.8780	0.000	1	117.8780	0.000	1	117.8780	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:2:4:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:S[6]-2:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]C)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]C){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(S[6]C[6])(CH3){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	124.1670	0.030	2	124.1670	0.001	2	124.1670	0.001	2	124.1670	0.001	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]O[5])	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]O[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.2780	0.000	1	122.2780	0.000	1	122.2780	0.000	1	120.7858	1.037	15	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	120.2200	0.335	4	120.2200	0.112	4	120.2200	0.112	4	120.7858	1.037	15	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6]){1|C<2>,2|C<3>,6|H<1>}	120.4090	0.000	1	120.4090	0.000	1	120.4090	0.000	1	120.7858	1.037	15	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-2:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	121.6830	0.000	1	121.6830	0.000	1	121.6830	0.000	1	120.7858	1.037	15	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CC)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O){1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	121.3345	0.438	2	121.3345	0.192	2	120.5218	1.320	6	120.7858	1.037	15	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	119.0690	0.072	2	119.0690	0.005	2	120.5218	1.320	6	120.7858	1.037	15	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.0170	0.000	1	121.0170	0.000	1	120.5218	1.320	6	120.7858	1.037	15	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HN)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HN)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.3070	0.000	1	121.3070	0.000	1	120.5218	1.320	6	120.7858	1.037	15	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	122.4210	0.000	1	122.4210	0.000	1	122.4210	0.000	1	120.7858	1.037	15	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:2:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C[6]-2:	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H)	C[5,6](N[5,5]C[5,6a]Nb[5,5])(C[5,6]C[6]P[5])(C[6]C[6])	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H){4|Cl<1>,1|P<4>,3|C<3>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H){1|Nb<7>,1|C<2>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](N[5,5]C[5,6a]Nb[5,5])(C[5,6]C[6]P[5])(C[6]C[6]){4|Cl<1>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	120.9850	0.000	1	120.9850	0.000	1	120.9850	0.000	1	120.7858	1.037	15	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H){1|I<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,2|H<1>,5|C<3>}	121.2520	0.000	1	121.2520	0.000	1	120.8945	0.256	2	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|C<2>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6a]C[6])(H){7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	120.5370	0.000	1	120.5370	0.000	1	120.8945	0.256	2	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(C[6]C[6]Br)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(Br)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(C[6]C[6]Br){1|C<4>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(Br){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	122.2450	0.000	1	122.2450	0.000	1	122.2450	0.000	1	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ir)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ir){2|C<4>,2|H<1>,3|C<3>}	116.1150	0.074	2	116.1150	0.005	2	115.8968	0.570	12	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru){1|C<4>,3|C<3>,3|H<1>}	115.9415	0.168	2	115.9415	0.028	2	115.8968	0.570	12	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pt)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pt){3|C<3>,4|H<1>}	115.5880	0.141	2	115.8040	0.072	4	115.8968	0.570	12	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pt)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Pt){3|H<1>,4|C<3>}	116.0200	0.093	2	115.8040	0.072	4	115.8968	0.570	12	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru){3|C<3>,4|H<1>}	117.0430	0.434	2	117.0430	0.188	2	115.8968	0.570	12	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]RuH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]RuH)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Ru<8>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[6])(C[5,6]C[5]C[6])(N[6]C[6]Ru){1|Ru<8>,3|C<3>,3|H<1>}	114.6735	0.282	2	114.6735	0.080	2	115.8968	0.570	12	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(N[5]C[6a]C[5])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(N[5]C[6a]C[5]){1|H<1>,2|C<4>,2|O<1>,5|C<3>}	122.0550	0.000	1	122.0550	0.000	1	122.0550	0.000	1	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	121.3730	0.000	1	121.3730	0.000	1	121.3730	0.000	1	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Co)(C[5]C[5]N)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Co)(C[5]C[5]N){2|C<3>,2|C<4>,3|H<1>}	117.3260	0.000	1	117.3260	0.000	1	117.6247	0.302	3	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:C[5]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Ni)(C[5]C[5]N)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Ni)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	117.7740	0.686	2	117.7740	0.470	2	117.6247	0.302	3	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:N[5]-3:	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Cu)(N[5]C[5]C)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Cu)(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	118.0660	0.000	1	118.5245	0.420	2	118.5245	0.420	2	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:N[5]-3:	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Cu)(N[5]C[5]C)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6]Cu)(N[5]C[5]C){1|C<3>,6|H<1>}	118.9830	0.000	1	118.5245	0.420	2	118.5245	0.420	2	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd){2|C<4>,2|H<1>,3|C<3>}	118.9390	0.000	1	118.9390	0.000	1	118.5177	1.182	3	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]PdH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]PdH)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd){1|Pd<4>,3|C<3>,3|H<1>}	119.3310	0.000	1	119.3310	0.000	1	118.5177	1.182	3	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]RhC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Rh)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]RhC)(C[6]C[6]H){1|Rh<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Rh<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Rh){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	117.2830	0.000	1	117.2830	0.000	1	118.5177	1.182	3	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	120.1820	0.000	1	120.1820	0.000	1	120.1820	0.000	1	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]N[5,6a]HH)(C[6]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]N[5,6a]HH)(C[6]C[6,6a]H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O){4|C<3>,4|H<1>}	120.6155	0.194	2	120.6155	0.038	2	120.6155	0.038	2	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:3:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H)	C[5,6](N[5,5]Nb[5,5]C[5,6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H){3|Cl<1>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H){1|Nb<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](N[5,5]Nb[5,5]C[5,6])(C[5,6]C[6]P[5])(C[6]C[6]H){3|Cl<1>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	120.0500	0.000	1	120.0500	0.000	1	120.0500	0.000	1	118.1091	5.347	29	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]O)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	123.4500	0.000	1	123.4500	0.000	1	123.4500	0.000	1	121.1200	10.858	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:N[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]O)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]H)(O)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	118.7900	0.000	1	118.7900	0.000	1	118.7900	0.000	1	121.1200	10.858	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[6]-3:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	121.9450	0.000	1	121.9450	0.000	1	121.9450	0.000	1	121.9450	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N){1|C<3>,7|H<1>}	120.3450	0.000	1	120.3450	0.000	1	124.0592	4.618	5	122.3539	6.057	12	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]C){3|C<3>,3|H<1>}	125.4955	0.202	2	125.4955	0.041	2	124.0592	4.618	5	122.3539	6.057	12	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]H){3|C<3>,3|H<1>}	124.4800	0.396	2	124.4800	0.157	2	124.0592	4.618	5	122.3539	6.057	12	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(N[6]C[6]Al)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|O<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(N[6]C[6]Al){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	117.1460	0.000	1	117.1460	0.000	1	117.1460	0.000	1	122.3539	6.057	12	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]O)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]N[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H){1|N<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]O)(H){1|C<3>,5|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]N[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	121.3390	0.000	1	121.3390	0.000	1	121.3390	0.000	1	122.3539	6.057	12	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	120.1410	0.000	1	120.1410	0.000	1	120.1410	0.000	1	122.3539	6.057	12	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.3312	0.434	4	122.3312	0.188	4	122.3312	0.188	4	122.3539	6.057	12	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,6|H<1>}	121.7630	0.000	1	121.7630	0.000	1	121.7630	0.000	1	118.8145	49.786	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CHS)	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H){1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CHS){1|C<3>,5|H<1>}	108.2580	0.000	1	108.2580	0.000	1	108.2580	0.000	1	118.8145	49.786	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	122.6185	0.532	2	122.6185	0.284	2	122.6185	0.284	2	118.8145	49.786	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(O){2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	120.7870	0.000	1	120.7870	0.000	1	120.7870	0.000	1	120.7870	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[3,5,6,6]-4:C[5]-4:C[5,6]-3:	C[5,6](C[5,6]C[3,5,6,6]C[5])(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,5,6,6]H)(H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5,6,6]C[5])(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,5,6,6]H)(H){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6]){1|C<2>,2|C<4>,4|C<3>,5|H<1>}	123.2495	0.204	2	123.2495	0.042	2	123.2495	0.042	2	123.2495	0.042	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:2:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:O-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]C)(OH)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]H){1|C<3>,2|H<1>,2|O<2>}	121.3440	0.000	1	121.3440	0.000	1	121.3440	0.000	1	121.3440	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:	3:3:2:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:C-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6])	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	119.9860	0.000	1	119.9860	0.000	1	120.2225	0.112	2	120.2225	0.112	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:	3:3:2:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:C-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6])	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])(COO){1|C<4>,1|H<1>,1|O<2>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	120.4590	0.000	1	120.4590	0.000	1	120.2225	0.112	2	120.2225	0.112	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:	3:3:2:	C[5,6]-3:P[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-3:P[6]-2:	C[5,6](C[5,6]C[5]P[6])(P[5]C[5]CS)(C[6]C[6]C)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(P[6]C[6])	C[5,6](C[5,6]C[5]P[6])(P[5]C[5]CS)(C[6]C[6]C){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|P<2>,1|S<1>,2|C<3>}	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(P[6]C[6]){1|C<3>,1|H<1>,1|S<1>,3|C<4>}	126.3820	0.000	1	126.3820	0.000	1	126.3820	0.000	1	126.3820	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]Co)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C){1|Co<4>,1|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]Co){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	119.3045	0.268	2	119.3045	0.072	2	119.5423	0.206	3	119.5423	0.206	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]Ir)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C){1|Ir<8>,1|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]Ir){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	120.0180	0.000	1	120.0180	0.000	1	119.5423	0.206	3	119.5423	0.206	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){2|C<4>,5|H<1>}	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	119.8710	0.061	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CO)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CO)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	119.8710	0.061	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H){1|Pd<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	122.7950	0.000	1	122.2985	0.493	2	122.2985	0.493	2	122.2807	0.247	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	121.8020	0.000	1	122.2985	0.493	2	122.2985	0.493	2	122.2807	0.247	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	3:3:4:	C[5,6]-3:Ge[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(Ge[5]O[5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]Ge[5])(C[6]C[6]DH)(H)	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH)	C[5,6](C[5,6]C[5]C[6])(Ge[5]O[5]CC)(C[6]C[6]H){1|C<3>,1|C<4>,2|D<1>,2|H<1>}	C[6](C[5,6]C[5,6]Ge[5])(C[6]C[6]DH)(H){1|C<3>,1|D<1>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH){1|D<1>,2|C<3>,2|H<1>,3|C<4>}	122.2450	0.000	1	122.2450	0.000	1	122.2450	0.000	1	122.2807	0.247	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	121.4710	0.417	2	121.4710	0.174	2	121.9168	0.289	6	121.9168	0.289	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.5600	0.000	1	122.4655	0.018	2	121.9168	0.289	6	121.9168	0.289	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CO)(C[6]C[6]O){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	122.3710	0.000	1	122.4655	0.018	2	121.9168	0.289	6	121.9168	0.289	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	3:4:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<4>,5|H<1>}	121.8140	0.479	2	121.8140	0.230	2	121.9168	0.289	6	121.9168	0.289	6	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<4>}	120.4830	0.000	1	120.4830	0.000	1	120.4830	0.000	1	120.4830	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]O){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	123.4640	0.000	1	123.4640	0.000	1	123.4640	0.000	1	123.4640	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	4:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[6]-4:C[5,6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	121.3350	0.000	1	121.3350	0.000	1	121.3350	0.000	1	121.3350	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	4:3:3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5,5]C[5]O[5]2)(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6,6]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5,5]C[5]O[5]2)(C[6]C[6]O){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	122.9280	0.000	1	122.9280	0.000	1	122.9280	0.000	1	122.7218	0.063	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,4|C<4>,4|H<1>}	122.6702	0.258	4	122.6702	0.066	4	122.6702	0.066	4	122.7218	0.063	5	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	122.4630	0.000	1	122.4630	0.000	1	122.4630	0.000	1	122.4630	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:2:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:O-2:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:3:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:N-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,2|C<4>,4|H<1>}	120.4000	0.000	1	120.4000	0.000	1	120.4000	0.000	1	120.4000	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]N[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]C){1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]N[5]HH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	122.8740	0.000	1	122.8740	0.000	1	122.8740	0.000	1	122.8740	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:	4:3:1:	3:4:3:	C[5,6]-3:B[5]-4:C[6]-3:	C[6]-4:C[5,6]-3:H-1:	C[6,6]-3:P[5]-4:C[5,6]-3:	C[5,6](C[5,6]C[6,6]P[5])(B[5]C[6a]2N[5])(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]B[5])(H)	C[5,6](C[6,6]C[6,6]C[6])(P[5]C[6a]2N[5])(C[5,6]B[5]C[6])	C[5,6](C[5,6]C[6,6]P[5])(B[5]C[6a]2N[5])(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]B[5])(H){1|C<4>,1|H<1>,1|N<3>,1|P<4>,5|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(P[5]C[6a]2N[5])(C[5,6]B[5]C[6]){1|O<2>,3|C<4>,4|H<1>,6|C<3>}	117.0300	0.000	1	117.0300	0.000	1	117.0300	0.000	1	117.0300	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:2:1:	3:3:3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-2:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,5]C[5,5]P[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6])(H)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]C[6]H)	C[5,6](C[5,5]C[5,5]P[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){2|C<3>,2|P<3>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6])(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]C[6]H){1|C<2>,2|P<3>,4|H<1>}	120.0300	0.000	1	120.0300	0.000	1	120.0300	0.000	1	120.0300	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:2:1:	3:4:4:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:O[6]-2:O-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]O)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	C[5,6](C[5]C[6a]O[5]H)(C[5,6]C[5]C[6])(C[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	122.6600	0.000	1	122.6600	0.000	1	122.6600	0.000	1	122.6600	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:2:3:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-2:C[6]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6])(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6])(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	120.0715	0.021	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:2:3:	C[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	120.1730	0.000	1	120.1730	0.000	1	120.1730	0.000	1	120.0715	0.021	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:3:2:	C[4,5]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[4,5]C[4,5]C[6a]C[4])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5]C[5,6])(O)	C[5,6](C[5,6]C[4,5]C[6])(C[6]C[6,6a]O)(O[5]C[4,5])	C[5,6](C[4,5]C[4,5]C[6a]C[4])(C[5,6]C[6]O[5])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5]C[5,6])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[4,5]C[6])(C[6]C[6,6a]O)(O[5]C[4,5]){1|O<1>,6|C<3>}	120.9290	0.000	1	120.9290	0.000	1	120.9290	0.000	1	120.9290	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6]H)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.5590	0.000	1	121.5590	0.000	1	121.5590	0.000	1	119.9286	3.815	8	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[5,6]C[5,6]N[6])(N[6]C[6]Ir)	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(C[5,6]C[5,6]N[6])(N[6]C[6]Ir){2|H<1>,5|C<3>}	117.1320	0.000	1	116.9660	0.055	2	116.9660	0.055	2	119.9286	3.815	8	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:3:3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-3:N[6]-3:	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[5,6]C[5,6]N[6])(N[6]C[6]Ir)	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,6|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|N<3>,5|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(C[5,6]C[5,6]N[6])(N[6]C[6]Ir){1|H<1>,6|C<3>}	116.8000	0.000	1	116.9660	0.055	2	116.9660	0.055	2	119.9286	3.815	8	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[5,5]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5]C[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[5,6](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,6](C[5]C[5,5]C[6a]2)(C[5,6]C[5,5]C[6])(C[6]C[6,6a]H){1|O<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|H<1>,7|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	121.3520	0.000	1	121.3520	0.000	1	121.3520	0.000	1	119.9286	3.815	8	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:3:3:	P[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:N[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](P[5]C[5,6]C[6a]C)(C[5,6]C[5,6]C[6])(C[6]N[6]H)	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[5,6](P[5]C[5,6]C[6a]C)(C[5,6]C[5,6]C[6])(C[6]N[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.7040	0.950	2	120.7040	0.903	2	120.6465	0.783	4	119.9286	3.815	8	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:3:3:	P[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:N[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](P[5]C[5,6]C[6a]O)(C[5,6]C[5,6]C[6])(C[6]N[6]H)	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[5,6](P[5]C[5,6]C[6a]O)(C[5,6]C[5,6]C[6])(C[6]N[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	120.5890	1.196	2	120.5890	1.431	2	120.6465	0.783	4	119.9286	3.815	8	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5,6](C[5,5]C[5,6a]C[5]N[5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|H<1>,1|O<1>,4|C<3>}	123.5705	0.327	2	123.5705	0.107	2	123.5705	0.107	2	123.2527	0.357	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC)	C[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC){1|O<1>,2|H<1>,3|C<3>}	122.6170	0.000	1	122.6170	0.000	1	122.6170	0.000	1	123.2527	0.357	3	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:4:3:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5,5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.1330	0.000	1	120.1330	0.000	1	120.1330	0.000	1	120.1442	0.141	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:N[6]-3:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]N[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(N[6]C[6]H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]N[6])(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	120.1442	0.141	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	120.0525	0.606	2	120.0525	0.367	2	120.0525	0.367	2	120.1442	0.141	4	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	4:3:2:	C[3,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[6]-2:	C[5,6](C[3,5]C[3,5,5]C[3,5]H)(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6]C[3,5]C[6])(C[6]C[6])	C[5,6](C[3,5]C[3,5,5]C[3,5]H)(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[3,5]C[5,6])(C[6]C[6]H)(H){1|C<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6]C[3,5]C[6])(C[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:2:	3:2:3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:O-2:	C[5,6]-3:O[5]-2:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]2)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5,6]C[6])(O[5]C[5,6])(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	119.3590	0.000	1	119.3590	0.000	1	119.3590	0.000	1	119.3590	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:3:4:	3:3:3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|H<1>,2|O<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,5|C<3>}	120.9030	0.000	1	120.9030	0.000	1	120.9030	0.000	1	120.9030	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:2:3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6]-3:N[5]-2:C[6]-3:	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]OO)(H)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5])(C[6]C[6]H)	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]OO)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5])(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.5140	0.000	1	122.5140	0.000	1	122.5140	0.000	1	122.5140	0.000	1	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:3:4:	C[3x5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[3x5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH)	C[5,6](C[3x5]C[5,5]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,8|H<1>}	C[6](C[5,6]C[3x5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,6|C<4>}	C[5,6](C[5,6]C[3x5]C[6])(C[5]C[5,5]O)(C[6]C[6]HH){1|H<1>,1|O<1>,6|C<4>}	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	122.1006	0.435	13	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:3:4:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	122.4760	0.000	1	122.1623	0.080	3	122.4528	0.465	6	122.1006	0.435	13	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:3:4:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|O<1>,2|O<2>,3|C<4>,4|C<3>}	122.0055	0.111	2	122.1623	0.080	3	122.4528	0.465	6	122.1006	0.435	13	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:3:4:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	121.9190	0.000	1	121.9190	0.000	1	122.4528	0.465	6	122.1006	0.435	13	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:3:4:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|H<1>,2|N<3>,4|C<4>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5]C[6a])(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	123.1555	0.801	2	123.1555	0.642	2	122.4528	0.465	6	122.1006	0.435	13	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:3:4:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:N[5]-3:C[6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	121.2490	0.000	1	121.2490	0.000	1	121.2490	0.000	1	122.1006	0.435	13	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	122.1305	0.008	2	122.0558	0.083	5	122.0558	0.083	5	122.1006	0.435	13	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	N[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	C[5,6](N[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	122.0060	0.397	3	122.0558	0.083	5	122.0558	0.083	5	122.1006	0.435	13	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|N<3>,1|O<1>,5|C<4>}	121.3058	0.244	4	121.3330	0.048	5	121.3837	0.054	6	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	121.4420	0.000	1	121.3330	0.048	5	121.3837	0.054	6	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.6370	0.000	1	121.6370	0.000	1	121.3837	0.054	6	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5])	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,5]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	121.1085	0.397	2	121.1085	0.157	2	120.7684	0.316	17	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[5,6]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6])	C[5,6](C[5]C[5,6]C[6a]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5,6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	120.0160	0.000	1	120.0160	0.000	1	120.7684	0.316	17	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	119.9200	0.000	1	119.9200	0.000	1	120.7684	0.316	17	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<2>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	120.7000	0.000	1	120.8504	0.299	12	120.7684	0.316	17	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	120.0600	0.000	1	120.8504	0.299	12	120.7684	0.316	17	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	120.9015	0.255	2	120.8504	0.299	12	120.7684	0.316	17	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	120.8280	0.181	2	120.8504	0.299	12	120.7684	0.316	17	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	120.5695	0.258	4	120.8504	0.299	12	120.7684	0.316	17	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	121.8540	0.105	2	120.8504	0.299	12	120.7684	0.316	17	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:2:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5,6](C[5]C[6a]C[5]O)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	120.7050	0.000	1	120.7050	0.000	1	120.7684	0.316	17	120.9289	0.318	23	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:3:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[6]N[5])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	122.3605	0.161	2	122.3605	0.026	2	122.3605	0.026	2	122.3605	0.026	2	120.7323	7.349	625	120.7599	7.298	646
818	762	818	6:SP2_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:	4:3:4:	3:4:3:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6])(C[6]C[5,6]C)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6])(C[6]C[5,6]C){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH){3|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,3|C<4>,4|H<1>}	122.0920	0.000	1	122.0920	0.000	1	122.0920	0.000	1	122.0920	0.000	1	120.7323	7.349	625	120.7599	7.298	646